[2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(3-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [2-(3-acetamidoanilino)-2-oxo-ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [2-(3-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamidoanilino)-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [2-(3-acetamidoanilino)-2-keto-ethyl] ester Formula: C19H23ClN4O4 MolecularWeight: 406.86332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=CC(=C2)NC(=O)C)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=CC(=C2)NC(=O)C)Cl)CC(C)C

InChI

InChI=1S/C19H23ClN4O4/c1-11(2)9-24-18(20)17(12(3)23-24)19(27)28-10-16(26)22-15-7-5-6-14(8-15)21-13(4)25/h5-8,11H,9-10H2,1-4H3,(H,21,25)(H,22,26)