ethyl 3-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-methyl-4-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-methyl-4-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3-methyl-4-nitro-benzoyl)amino]benzoic acid ethyl ester Formula: C28H28N4O6 MolecularWeight: 516.54512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H28N4O6/c1-3-38-28(35)22-10-12-25(30-13-15-31(16-14-30)27(34)20-7-5-4-6-8-20)23(18-22)29-26(33)21-9-11-24(32(36)37)19(2)17-21/h4-12,17-18H,3,13-16H2,1-2H3,(H,29,33)