(E)-2-cyano-3-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(6,6-dimethylnorpinan-2-yl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(6,6-dimethylnorpinan-2-yl)acrylic acid Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C1C2)C=C(C#N)C(=O)O)C

Isomeric SMILES

CC1(C2CCC(C1C2)/C=C(\C#N)/C(=O)O)C

InChI

InChI=1S/C13H17NO2/c1-13(2)10-4-3-8(11(13)6-10)5-9(7-14)12(15)16/h5,8,10-11H,3-4,6H2,1-2H3,(H,15,16)/b9-5+