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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-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-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C23H19FN4O4 MolecularWeight: 434.419763

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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)OC)C3=CC=C(C=C3)F)N

Isomeric SMILES

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

InChI

InChI=1S/C23H19FN4O4/c1-14(26)19(11-25)21(29)13-32-23(30)20-12-28(17-8-6-16(24)7-9-17)27-22(20)15-4-3-5-18(10-15)31-2/h3-10,12H,13,26H2,1-2H3/b19-14+