2-(4,4-dinitrocyclohexa-2,5-dien-1-yl)benzoic acid

Systemtic Name: 2-(4,4-dinitrocyclohexa-2,5-dien-1-yl)benzoic acid Openeye Name: 2-(4,4-dinitrocyclohexa-2,5-dien-1-yl)benzoic acid CAS Name: 2-(4,4-dinitro-1-cyclohexa-2,5-dienyl)benzoic acid IUPAC Name: 2-(4,4-dinitrocyclohexa-2,5-dien-1-yl)benzoic acid Traditional Name: 2-(4,4-dinitrocyclohexa-2,5-dien-1-yl)benzoic acid Formula: C13H10N2O6 MolecularWeight: 290.2283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C=CC(C=C2)([N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2C=CC(C=C2)([N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H10N2O6/c16-12(17)11-4-2-1-3-10(11)9-5-7-13(8-6-9,14(18)19)15(20)21/h1-9H,(H,16,17)