[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] quinoline-2-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C24H16BrN3O5 MolecularWeight: 506.30494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H16BrN3O5/c25-18-14-17(28(31)32)11-13-20(18)27-23(29)22(16-7-2-1-3-8-16)33-24(30)21-12-10-15-6-4-5-9-19(15)26-21/h1-14,22H,(H,27,29)