methyl 3-nitro-5-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]benzoate Openeye Name: methyl 3-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-benzylpiperazino)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

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