(4-cyanophenyl) (5E)-5-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate

Systemtic Name: (4-cyanophenyl) (5E)-5-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Openeye Name: (4-cyanophenyl) (5E)-5-(5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate CAS Name: (5E)-5-(5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) (5E)-5-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylate Traditional Name: (5E)-5-(6-keto-5-methyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carboxylic acid (4-cyanophenyl) ester Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C2C=C(NN2)C(=O)OC3=CC=C(C=C3)C#N)C1=O

Isomeric SMILES

CC1=CC=C/C(=C\2/C=C(NN2)C(=O)OC3=CC=C(C=C3)C#N)/C1=O

InChI

InChI=1S/C18H13N3O3/c1-11-3-2-4-14(17(11)22)15-9-16(21-20-15)18(23)24-13-7-5-12(10-19)6-8-13/h2-9,20-21H,1H3/b15-14+