[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC(=CN2C)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC(=CN2C)C(=O)C

InChI

InChI=1S/C18H16ClN3O4/c1-10(23)13-6-16(22(3)9-13)18(25)26-11(2)17(24)21-14-5-4-12(8-20)15(19)7-14/h4-7,9,11H,1-3H3,(H,21,24)/t11-/m1/s1