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

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCCC(=O)NC2=CC=CC=C2C#N)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCCC(=O)NC2=CC=CC=C2C#N)Cl)CC(C)C

InChI

InChI=1S/C19H21ClN4O3/c1-12(2)11-24-18(20)17(13(3)23-24)19(26)27-9-8-16(25)22-15-7-5-4-6-14(15)10-21/h4-7,12H,8-9,11H2,1-3H3,(H,22,25)