methyl 3-[(2-nitrophenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(2-nitrophenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(2-nitrobenzoyl)amino]benzoate CAS Name: 3-[[(2-nitrophenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[(2-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(2-nitrobenzoyl)amino]benzoic acid methyl ester Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O5/c1-35-26(32)20-11-12-24(29-15-13-28(14-16-29)18-19-7-3-2-4-8-19)22(17-20)27-25(31)21-9-5-6-10-23(21)30(33)34/h2-12,17H,13-16,18H2,1H3,(H,27,31)