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

Systemtic Name: 2-chloranyl-6-[(3E)-3-(4-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzenecarbonitrile Openeye Name: 2-chloro-6-[(3E)-3-(4-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile CAS Name: 2-chloro-6-[(3E)-3-(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrazol-2-yl]benzonitrile IUPAC Name: 2-chloro-6-[(3E)-3-(4-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile Traditional Name: 2-chloro-6-[(5E)-5-(6-keto-4-methoxy-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-1-yl]benzonitrile Formula: C17H12ClN3O2 MolecularWeight: 325.74908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O2/c1-23-11-5-6-12(17(22)9-11)16-7-8-20-21(16)15-4-2-3-14(18)13(15)10-19/h2-9,20H,1H3/b16-12+