[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H25BrN4O7 MolecularWeight: 597.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C27H25BrN4O7/c1-17-6-5-13-30(16-17)23-12-9-19(14-24(23)32(37)38)27(34)39-25(18-7-3-2-4-8-18)26(33)29-22-11-10-20(31(35)36)15-21(22)28/h2-4,7-12,14-15,17,25H,5-6,13,16H2,1H3,(H,29,33)