methyl (E)-4-(2-cyanoethyl)-4-methyl-hex-2-en-5-ynoate

Systemtic Name: methyl (E)-4-(2-cyanoethyl)-4-methyl-hex-2-en-5-ynoate Openeye Name: methyl (E)-4-(2-cyanoethyl)-4-methyl-hex-2-en-5-ynoate CAS Name: (E)-4-(2-cyanoethyl)-4-methylhex-2-en-5-ynoic acid methyl ester IUPAC Name: methyl (E)-4-(2-cyanoethyl)-4-methylhex-2-en-5-ynoate Traditional Name: (E)-4-(2-cyanoethyl)-4-methyl-hex-2-en-5-ynoic acid methyl ester Formula: C11H13NO2 MolecularWeight: 191.22642

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)(C=CC(=O)OC)C#C

Isomeric SMILES

CC(CCC#N)(/C=C/C(=O)OC)C#C

InChI

InChI=1S/C11H13NO2/c1-4-11(2,7-5-9-12)8-6-10(13)14-3/h1,6,8H,5,7H2,2-3H3/b8-6+