[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)/N

InChI

InChI=1S/C22H18N4O3/c1-15(24)18(12-23)20(27)14-29-22(28)19-13-26(17-10-6-3-7-11-17)25-21(19)16-8-4-2-5-9-16/h2-11,13H,14,24H2,1H3/b18-15+