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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C28H18BrN3O5 MolecularWeight: 556.36362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Br

InChI

InChI=1S/C28H18BrN3O5/c29-23-14-18(32(35)36)12-13-25(23)31-27(33)16-37-28(34)22-15-26(30-24-11-4-3-9-21(22)24)20-10-5-7-17-6-1-2-8-19(17)20/h1-15H,16H2,(H,31,33)