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

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C18H19ClN4O3 MolecularWeight: 374.82146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)Cl

InChI

InChI=1S/C18H19ClN4O3/c1-3-4-8-23-17(19)16(12(2)22-23)18(25)26-11-15(24)21-14-7-5-6-13(9-14)10-20/h5-7,9H,3-4,8,11H2,1-2H3,(H,21,24)