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

Systemtic Name: 3-(3-nitrocyclohexa-1,3-dien-1-yl)benzenecarbonitrile Openeye Name: 3-(3-nitrocyclohexa-1,3-dien-1-yl)benzonitrile CAS Name: 3-(3-nitro-1-cyclohexa-1,3-dienyl)benzonitrile IUPAC Name: 3-(3-nitrocyclohexa-1,3-dien-1-yl)benzonitrile Traditional Name: 3-(3-nitrocyclohexa-1,3-dien-1-yl)benzonitrile Formula: C13H10N2O2 MolecularWeight: 226.2307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O2/c14-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)15(16)17/h1,3-4,6-8H,2,5H2