3-[(3E)-3-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzenecarbonitrile

Systemtic Name: 3-[(3E)-3-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzenecarbonitrile Openeye Name: 3-[(3E)-3-(4-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile CAS Name: 3-[(3E)-3-(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrazol-2-yl]benzonitrile IUPAC Name: 3-[(3E)-3-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile Traditional Name: 3-[(5E)-5-(6-keto-4-methoxy-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-1-yl]benzonitrile Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2C=CNN2C3=CC=CC(=C3)C#N)C=C1

Isomeric SMILES

COC1=CC(=O)/C(=C/2\C=CNN2C3=CC=CC(=C3)C#N)/C=C1

InChI

InChI=1S/C17H13N3O2/c1-22-14-5-6-15(17(21)10-14)16-7-8-19-20(16)13-4-2-3-12(9-13)11-18/h2-10,19H,1H3/b16-15+