methyl 3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-ethoxy-3-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-ethoxy-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(4-ethoxy-3-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C28H28N4O7 MolecularWeight: 532.54452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O7/c1-3-39-25-12-10-20(18-24(25)32(36)37)26(33)29-22-17-21(28(35)38-2)9-11-23(22)30-13-15-31(16-14-30)27(34)19-7-5-4-6-8-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,29,33)