[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C16H12ClN3O4 MolecularWeight: 345.73718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C16H12ClN3O4/c1-9(21)11-4-14(19-7-11)16(23)24-8-15(22)20-13-5-12(17)3-2-10(13)6-18/h2-5,7,19H,8H2,1H3,(H,20,22)