propan-2-yl 5-[(3-chloranyl-4-cyano-phenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 5-[(3-chloranyl-4-cyano-phenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[(3-chloro-4-cyano-phenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(3-chloro-4-cyanoanilino)-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[(3-chloro-4-cyanophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(3-chloro-4-cyano-phenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H18ClN3O3/c1-9(2)25-18(24)15-10(3)16(21-11(15)4)17(23)22-13-6-5-12(8-20)14(19)7-13/h5-7,9,21H,1-4H3,(H,22,23)