methyl 4-[(E)-3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[(4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methoxy]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C=CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H19N3O4/c1-16-20(14-24)21(26(25-16)19-6-4-3-5-7-19)15-30-22(27)13-10-17-8-11-18(12-9-17)23(28)29-2/h3-13H,15H2,1-2H3/b13-10+