3-isocyano-2-methyl-cyclohepta-1,3,6-triene-1-carbonitrile

Systemtic Name: 3-isocyano-2-methyl-cyclohepta-1,3,6-triene-1-carbonitrile Openeye Name: 3-isocyano-2-methyl-cyclohepta-1,3,6-triene-1-carbonitrile CAS Name: 3-isocyano-2-methyl-1-cyclohepta-1,3,6-trienecarbonitrile IUPAC Name: 3-isocyano-2-methylcyclohepta-1,3,6-triene-1-carbonitrile Traditional Name: 3-isocyano-2-methyl-cyclohepta-1,3,6-triene-1-carbonitrile Formula: C10H8N2 MolecularWeight: 156.18392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CCC=C1[N+]#[C-])C#N

Isomeric SMILES

CC1=C(C=CCC=C1[N+]#[C-])C#N

InChI

InChI=1S/C10H8N2/c1-8-9(7-11)5-3-4-6-10(8)12-2/h3,5-6H,4H2,1H3