ethyl 3-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-methyl-3-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-methyl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(2-methyl-3-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=C(C(=CC=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=C(C(=CC=C4)[N+](=O)[O-])C

InChI

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