[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H22BrN3O5 MolecularWeight: 548.38468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C27H22BrN3O5/c1-3-21-16(2)24(19-11-7-8-12-22(19)29-21)27(33)36-25(17-9-5-4-6-10-17)26(32)30-23-14-13-18(31(34)35)15-20(23)28/h4-15,25H,3H2,1-2H3,(H,30,32)