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

Systemtic Name: [2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(5-chloro-2-phenoxy-anilino)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(5-chloro-2-phenoxy-anilino)-2-keto-ethyl] ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

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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)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C21H17ClN2O5/c1-13(25)14-9-18(23-11-14)21(27)28-12-20(26)24-17-10-15(22)7-8-19(17)29-16-5-3-2-4-6-16/h2-11,23H,12H2,1H3,(H,24,26)