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

Systemtic Name: methyl 3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H30N4O6 MolecularWeight: 518.561

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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)OC)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)OC)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H30N4O6/c1-3-38-26-12-10-21(18-25(26)32(35)36)27(33)29-23-17-22(28(34)37-2)9-11-24(23)31-15-13-30(14-16-31)19-20-7-5-4-6-8-20/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,29,33)