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

Systemtic Name: methyl 3-[(3-nitrophenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-nitrobenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3-nitrobenzoyl)amino]benzoic acid methyl ester Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O6/c1-36-26(33)20-10-11-23(22(17-20)27-24(31)19-8-5-9-21(16-19)30(34)35)28-12-14-29(15-13-28)25(32)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,27,31)