methyl 4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzoate

Systemtic Name: methyl 4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]benzoate Openeye Name: methyl 4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]benzoate CAS Name: 4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]benzoate Traditional Name: 4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]benzoic acid methyl ester Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O3/c1-13-17(12-14-8-10-15(11-9-14)19(23)24-2)18(22)21(20-13)16-6-4-3-5-7-16/h3-12H,1-2H3/b17-12+