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

Systemtic Name: ethyl 3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoic acid ethyl ester Formula: C31H33N5O6 MolecularWeight: 571.62362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C31H33N5O6/c1-2-42-31(39)24-11-12-26(34-16-18-35(19-17-34)30(38)22-8-4-3-5-9-22)25(20-24)32-29(37)23-10-13-27(28(21-23)36(40)41)33-14-6-7-15-33/h3-5,8-13,20-21H,2,6-7,14-19H2,1H3,(H,32,37)