5-(isocyanatomethyl)-5-methyl-cyclohexa-1,3-diene

Systemtic Name: 5-(isocyanatomethyl)-5-methyl-cyclohexa-1,3-diene Openeye Name: 5-(isocyanatomethyl)-5-methyl-cyclohexa-1,3-diene CAS Name: 5-(isocyanatomethyl)-5-methylcyclohexa-1,3-diene IUPAC Name: 5-(isocyanatomethyl)-5-methylcyclohexa-1,3-diene Traditional Name: 5-(isocyanatomethyl)-5-methyl-cyclohexa-1,3-diene Formula: C9H11NO MolecularWeight: 149.18974

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=CC=C1)CN=C=O

Isomeric SMILES

CC1(CC=CC=C1)CN=C=O

InChI

InChI=1S/C9H11NO/c1-9(7-10-8-11)5-3-2-4-6-9/h2-5H,6-7H2,1H3