[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H13ClN2O6 MolecularWeight: 412.78002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C20H13ClN2O6/c21-15-8-7-12(10-17(15)23(27)28)19(25)13-4-1-2-5-14(13)20(26)29-11-18(24)16-6-3-9-22-16/h1-10,22H,11H2