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

Systemtic Name: methyl 3-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H26N4O6 MolecularWeight: 502.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O6/c1-18-16-20(8-10-23(18)31(35)36)25(32)28-22-17-21(27(34)37-2)9-11-24(22)29-12-14-30(15-13-29)26(33)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,28,32)