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2D Structure
Also known as: 38101-92-7, (e)-2-(3-nitrostyryl)quinoline, 2-[(e)-2-(3-nitrophenyl)ethenyl]quinoline, 2-(3-nitrostyryl)quinoline, 7251-91-4, Nsc13861
Molecular Formula
C17H12N2O2
Molecular Weight
276.29  g/mol
InChI Key
URIXDBULDXTIHZ-CSKARUKUSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline
2.1.2 InChI
InChI=1S/C17H12N2O2/c20-19(21)16-6-3-4-13(12-16)8-10-15-11-9-14-5-1-2-7-17(14)18-15/h1-12H/b10-8+
2.1.3 InChI Key
URIXDBULDXTIHZ-CSKARUKUSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC(=CC=C3)[N+](=O)[O-]
2.1.5 Isomeric SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 38101-92-7

2. (e)-2-(3-nitrostyryl)quinoline

3. 2-[(e)-2-(3-nitrophenyl)ethenyl]quinoline

4. 2-(3-nitrostyryl)quinoline

5. 7251-91-4

6. Nsc13861

7. Cambridge Id 5573554

8. Quinoline, 2(m-nitrostyryl)-

9. Schembl6797017

10. 2-(trans-3-nitrostyryl)quinoline

11. 2-[(e)-3-nitrostyryl]quinoline

12. 2-(trans-3-nitrostyryl) Quinoline

13. Albb-024180

14. Zinc4008064

15. Alpha-(m-nitrobenzylidene)quinaldine

16. Mfcd00024000

17. Nsc-13861

18. Stk285569

19. Akos000357521

20. Ls-07813

21. Quinoline, 2-[2-(3-nitrophenyl)ethenyl]-

22. Cs-0320178

23. 2-[(1e)-2-(3-nitrophenyl)ethenyl]quinoline

24. 2-[(e)-2-(3-nitrophenyl)ethenyl]quinoline #

25. Quinoline, 2-[(e)-2-(3-nitrophenyl)ethenyl]-

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 276.29 g/mol
Molecular Formula C17H12N2O2
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass276.089877630 g/mol
Monoisotopic Mass276.089877630 g/mol
Topological Polar Surface Area58.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity391
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1