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

Systemtic Name: ethyl 3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H30N4O7 MolecularWeight: 546.5711

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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)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)OCC)N3CCN(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H30N4O7/c1-3-39-26-13-11-21(19-25(26)33(37)38)27(34)30-23-18-22(29(36)40-4-2)10-12-24(23)31-14-16-32(17-15-31)28(35)20-8-6-5-7-9-20/h5-13,18-19H,3-4,14-17H2,1-2H3,(H,30,34)