(3-nitrocyclohexa-1,3-dien-1-yl)methylbenzene

Systemtic Name: (3-nitrocyclohexa-1,3-dien-1-yl)methylbenzene Openeye Name: (3-nitrocyclohexa-1,3-dien-1-yl)methylbenzene CAS Name: (3-nitro-1-cyclohexa-1,3-dienyl)methylbenzene IUPAC Name: (3-nitrocyclohexa-1,3-dien-1-yl)methylbenzene Traditional Name: (3-nitrocyclohexa-1,3-dien-1-yl)methylbenzene Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1CC(=CC(=C1)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C13H13NO2/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9H2