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

Systemtic Name: [2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[2-(isobutylcarbamoyl)anilino]-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-[2-[(2-methylpropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-[2-(isobutylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C18H20ClN3O4/c1-11(2)8-21-17(24)13-5-3-4-6-14(13)22-16(23)10-26-18(25)15-7-12(19)9-20-15/h3-7,9,11,20H,8,10H2,1-2H3,(H,21,24)(H,22,23)