ethyl 3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid ethyl ester Formula: C27H25ClN4O6 MolecularWeight: 536.9636

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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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN4O6/c1-2-38-27(35)19-8-11-24(30-12-14-31(15-13-30)26(34)18-6-4-3-5-7-18)23(16-19)29-25(33)21-10-9-20(32(36)37)17-22(21)28/h3-11,16-17H,2,12-15H2,1H3,(H,29,33)