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

Systemtic Name: 7-[(4Z)-6-ethyl-4-(2-methyl-1H-pyrazol-3-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxy-2,2-dimethyl-heptanenitrile Openeye Name: 7-[(4Z)-6-ethyl-4-(2-methyl-1H-pyrazol-3-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]oxy-2,2-dimethyl-heptanenitrile CAS Name: 7-[[(4Z)-6-ethyl-4-(2-methyl-1H-pyrazol-3-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]oxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[(4Z)-6-ethyl-4-(2-methyl-1H-pyrazol-3-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]oxy-2,2-dimethylheptanenitrile Traditional Name: 7-[(4Z)-6-ethyl-3-keto-4-(2-methyl-3-pyrazolin-3-ylidene)cyclohexa-1,5-dien-1-yl]oxy-2,2-dimethyl-enanthonitrile Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C=CNN2C)C(=O)C=C1OCCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C/C(=C/2\C=CNN2C)/C(=O)C=C1OCCCCCC(C)(C)C#N

InChI

InChI=1S/C21H29N3O2/c1-5-16-13-17(18-9-11-23-24(18)4)19(25)14-20(16)26-12-8-6-7-10-21(2,3)15-22/h9,11,13-14,23H,5-8,10,12H2,1-4H3/b18-17-