[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 3-nitrobenzoate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O5/c31-25(19-35-26(32)21-7-4-8-24(17-21)30(33)34)27-22-9-11-23(12-10-22)29-15-13-28(14-16-29)18-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,27,31)