[4-nitro-3,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]-phenyl-methanone

Systemtic Name: [4-nitro-3,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]-phenyl-methanone Openeye Name: (3,4-dihydroxy-4-nitro-cyclohexa-2,5-dien-1-yl)-phenyl-methanone CAS Name: (3,4-dihydroxy-4-nitro-1-cyclohexa-2,5-dienyl)-phenylmethanone IUPAC Name: (3,4-dihydroxy-4-nitrocyclohexa-2,5-dien-1-yl)-phenylmethanone Traditional Name: (3,4-dihydroxy-4-nitro-cyclohexa-2,5-dien-1-yl)-phenyl-methanone Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO5/c15-11-8-10(6-7-13(11,17)14(18)19)12(16)9-4-2-1-3-5-9/h1-8,10,15,17H