5-(isocyanatomethyl)-6,6-dimethyl-2-prop-1-en-2-yl-cyclohexa-1,3-diene

Systemtic Name: 5-(isocyanatomethyl)-6,6-dimethyl-2-prop-1-en-2-yl-cyclohexa-1,3-diene Openeye Name: 5-(isocyanatomethyl)-2-isopropenyl-6,6-dimethyl-cyclohexa-1,3-diene CAS Name: 5-(isocyanatomethyl)-6,6-dimethyl-2-(1-methylethenyl)cyclohexa-1,3-diene IUPAC Name: 5-(isocyanatomethyl)-6,6-dimethyl-2-prop-1-en-2-ylcyclohexa-1,3-diene Traditional Name: 5-(isocyanatomethyl)-2-isopropenyl-6,6-dimethyl-cyclohexa-1,3-diene Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(C(C=C1)CN=C=O)(C)C

Isomeric SMILES

CC(=C)C1=CC(C(C=C1)CN=C=O)(C)C

InChI

InChI=1S/C13H17NO/c1-10(2)11-5-6-12(8-14-9-15)13(3,4)7-11/h5-7,12H,1,8H2,2-4H3