[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H14ClN3O6 MolecularWeight: 427.79466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=CN2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=CN2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H14ClN3O6/c21-15-10-12(24(28)29)7-8-13(15)19(26)23-16-5-2-1-4-14(16)20(27)30-11-18(25)17-6-3-9-22-17/h1-10,22H,11H2,(H,23,26)