[1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C#N)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C#N)C)Cl

InChI

InChI=1S/C22H19ClN4O3/c1-13-20(23)14(2)27(26-13)19-10-6-17(7-11-19)22(29)30-15(3)21(28)25-18-8-4-16(12-24)5-9-18/h4-11,15H,1-3H3,(H,25,28)