7-[(4Z)-4-(1,2-dihydropyrazol-3-ylidene)-6-ethyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxy-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-[(4Z)-4-(1,2-dihydropyrazol-3-ylidene)-6-ethyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxy-2,2-dimethyl-heptanenitrile Openeye Name: 7-[(4Z)-4-(1,2-dihydropyrazol-3-ylidene)-6-ethyl-3-oxo-cyclohexa-1,5-dien-1-yl]oxy-2,2-dimethyl-heptanenitrile CAS Name: 7-[[(4Z)-4-(1,2-dihydropyrazol-3-ylidene)-6-ethyl-3-oxo-1-cyclohexa-1,5-dienyl]oxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[(4Z)-4-(1,2-dihydropyrazol-3-ylidene)-6-ethyl-3-oxocyclohexa-1,5-dien-1-yl]oxy-2,2-dimethylheptanenitrile Traditional Name: 7-[(4Z)-6-ethyl-3-keto-4-(3-pyrazolin-3-ylidene)cyclohexa-1,5-dien-1-yl]oxy-2,2-dimethyl-enanthonitrile Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C=CNN2)C(=O)C=C1OCCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C/C(=C/2\C=CNN2)/C(=O)C=C1OCCCCCC(C)(C)C#N

InChI

InChI=1S/C20H27N3O2/c1-4-15-12-16(17-8-10-22-23-17)18(24)13-19(15)25-11-7-5-6-9-20(2,3)14-21/h8,10,12-13,22-23H,4-7,9,11H2,1-3H3/b17-16-