[2-[(E)-2-(2-acetyloxy-3-bromanyl-5-nitro-phenyl)ethenyl]quinolin-8-yl] ethanoate

Systemtic Name: [2-[(E)-2-(2-acetyloxy-3-bromanyl-5-nitro-phenyl)ethenyl]quinolin-8-yl] ethanoate Openeye Name: [2-[(E)-2-(2-acetoxy-3-bromo-5-nitro-phenyl)vinyl]-8-quinolyl] acetate CAS Name: acetic acid [2-[(E)-2-(2-acetyloxy-3-bromo-5-nitrophenyl)ethenyl]-8-quinolinyl] ester IUPAC Name: [2-[(E)-2-(2-acetyloxy-3-bromo-5-nitrophenyl)ethenyl]quinolin-8-yl] acetate Traditional Name: acetic acid [2-[(E)-2-(2-acetoxy-3-bromo-5-nitro-phenyl)vinyl]-8-quinolyl] ester Formula: C21H15BrN2O6 MolecularWeight: 471.2576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC2=C1N=C(C=C2)C=CC3=CC(=CC(=C3OC(=O)C)Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC(=CC(=C3OC(=O)C)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN2O6/c1-12(25)29-19-5-3-4-14-6-8-16(23-20(14)19)9-7-15-10-17(24(27)28)11-18(22)21(15)30-13(2)26/h3-11H,1-2H3/b9-7+