[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 1,3,5-trimethylpyrazole-4-carboxylate CAS Name: 1,3,5-trimethyl-4-pyrazolecarboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate Traditional Name: 1,3,5-trimethylpyrazole-4-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C16H15ClN4O3 MolecularWeight: 346.7683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H15ClN4O3/c1-9-15(10(2)21(3)20-9)16(23)24-8-14(22)19-12-5-4-11(7-18)13(17)6-12/h4-6H,8H2,1-3H3,(H,19,22)