methyl 3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazole-2-carboxylate

Systemtic Name: methyl 3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazole-2-carboxylate Openeye Name: methyl 3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazole-2-carboxylate CAS Name: 3-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-phenyl-1H-pyrazole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazole-2-carboxylate Traditional Name: 5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-phenyl-3-pyrazoline-1-carboxylic acid methyl ester Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(=C2C=CC(=O)C=C2)C(=CN1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)N1C(=C2C=CC(=O)C=C2)C(=CN1)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O3/c1-22-17(21)19-16(13-7-9-14(20)10-8-13)15(11-18-19)12-5-3-2-4-6-12/h2-11,18H,1H3