[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C20H16N4O4 MolecularWeight: 376.36544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H16N4O4/c1-27-17-12-24(16-8-3-2-4-9-16)23-19(17)20(26)28-13-18(25)22-15-7-5-6-14(10-15)11-21/h2-10,12H,13H2,1H3,(H,22,25)