(5,5-dinitrocyclohexa-1,3-dien-1-yl)-phenyl-methanone

Systemtic Name: (5,5-dinitrocyclohexa-1,3-dien-1-yl)-phenyl-methanone Openeye Name: (5,5-dinitrocyclohexa-1,3-dien-1-yl)-phenyl-methanone CAS Name: (5,5-dinitro-1-cyclohexa-1,3-dienyl)-phenylmethanone IUPAC Name: (5,5-dinitrocyclohexa-1,3-dien-1-yl)-phenylmethanone Traditional Name: (5,5-dinitrocyclohexa-1,3-dien-1-yl)-phenyl-methanone Formula: C13H10N2O5 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=CC1([N+](=O)[O-])[N+](=O)[O-])C(=O)C2=CC=CC=C2

Isomeric SMILES

C1C(=CC=CC1([N+](=O)[O-])[N+](=O)[O-])C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H10N2O5/c16-12(10-5-2-1-3-6-10)11-7-4-8-13(9-11,14(17)18)15(19)20/h1-8H,9H2