4-(2,6-dinitrocyclohexa-1,5-dien-1-yl)benzenecarbonitrile

Systemtic Name: 4-(2,6-dinitrocyclohexa-1,5-dien-1-yl)benzenecarbonitrile Openeye Name: 4-(2,6-dinitrocyclohexa-1,5-dien-1-yl)benzonitrile CAS Name: 4-(2,6-dinitro-1-cyclohexa-1,5-dienyl)benzonitrile IUPAC Name: 4-(2,6-dinitrocyclohexa-1,5-dien-1-yl)benzonitrile Traditional Name: 4-(2,6-dinitrocyclohexa-1,5-dien-1-yl)benzonitrile Formula: C13H9N3O4 MolecularWeight: 271.22826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O4/c14-8-9-4-6-10(7-5-9)13-11(15(17)18)2-1-3-12(13)16(19)20/h2,4-7H,1,3H2