[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C22H17ClN4O3 MolecularWeight: 420.84838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN4O3/c1-14(25)18(11-24)20(28)13-30-22(29)19-12-27(17-5-3-2-4-6-17)26-21(19)15-7-9-16(23)10-8-15/h2-10,12H,13,25H2,1H3/b18-14+