6-[(5Z)-5-(3-chloranyl-4-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-2-methyl-1H-pyrazol-4-yl]hex-5-ynenitrile

Systemtic Name: 6-[(5Z)-5-(3-chloranyl-4-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-2-methyl-1H-pyrazol-4-yl]hex-5-ynenitrile Openeye Name: 6-[(5Z)-5-(3-chloro-4-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-2-methyl-1H-pyrazol-4-yl]hex-5-ynenitrile CAS Name: 6-[(5Z)-5-(3-chloro-4-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-2-methyl-1H-pyrazol-4-yl]-5-hexynenitrile IUPAC Name: 6-[(5Z)-5-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-2-methyl-1H-pyrazol-4-yl]hex-5-ynenitrile Traditional Name: 6-[(3Z)-3-(3-chloro-6-keto-4-methyl-cyclohexa-2,4-dien-1-ylidene)-1-methyl-3-pyrazolin-4-yl]hex-5-ynenitrile Formula: C17H16ClN3O MolecularWeight: 313.78144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2C(=CN(N2)C)C#CCCCC#N)C=C1Cl

Isomeric SMILES

CC1=CC(=O)/C(=C\2/C(=CN(N2)C)C#CCCCC#N)/C=C1Cl

InChI

InChI=1S/C17H16ClN3O/c1-12-9-16(22)14(10-15(12)18)17-13(11-21(2)20-17)7-5-3-4-6-8-19/h9-11,20H,3-4,6H2,1-2H3/b17-14-