ethyl 3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-ethoxy-3-nitro-benzoyl)amino]benzoate CAS Name: 3-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-ethoxy-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(4-ethoxy-3-nitro-benzoyl)amino]benzoic acid ethyl ester Formula: C29H32N4O6 MolecularWeight: 532.58758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H32N4O6/c1-3-38-27-13-11-22(19-26(27)33(36)37)28(34)30-24-18-23(29(35)39-4-2)10-12-25(24)32-16-14-31(15-17-32)20-21-8-6-5-7-9-21/h5-13,18-19H,3-4,14-17,20H2,1-2H3,(H,30,34)