1-methyl-4-[(1S,6R)-6-nitrocyclohex-3-en-1-yl]benzene

Systemtic Name: 1-methyl-4-[(1S,6R)-6-nitrocyclohex-3-en-1-yl]benzene Openeye Name: 1-methyl-4-[(1S,6R)-6-nitrocyclohex-3-en-1-yl]benzene CAS Name: 1-methyl-4-[(1S,6R)-6-nitro-1-cyclohex-3-enyl]benzene IUPAC Name: 1-methyl-4-[(1S,6R)-6-nitrocyclohex-3-en-1-yl]benzene Traditional Name: 1-methyl-4-[(1S,6R)-6-nitrocyclohex-3-en-1-yl]benzene Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC=CCC2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC=CC[C@H]2[N+](=O)[O-]

InChI

InChI=1S/C13H15NO2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-3,6-9,12-13H,4-5H2,1H3/t12-,13+/m0/s1