[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H12BrN3O5 MolecularWeight: 430.20898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H12BrN3O5/c19-13-9-12(22(25)26)6-8-15(13)21-17(23)10-27-18(24)16-7-5-11-3-1-2-4-14(11)20-16/h1-9H,10H2,(H,21,23)