[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H16N4O3 MolecularWeight: 360.36604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=C(NN=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=C(NN=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H16N4O3/c1-13(19(25)23-17-10-6-5-9-15(17)11-21)27-20(26)16-12-22-24-18(16)14-7-3-2-4-8-14/h2-10,12-13H,1H3,(H,22,24)(H,23,25)