[3-nitro-6,6-bis(oxidanyl)cyclohexa-2,4-dien-1-yl]-phenyl-methanone

Systemtic Name: [3-nitro-6,6-bis(oxidanyl)cyclohexa-2,4-dien-1-yl]-phenyl-methanone Openeye Name: (6,6-dihydroxy-3-nitro-cyclohexa-2,4-dien-1-yl)-phenyl-methanone CAS Name: (6,6-dihydroxy-3-nitro-1-cyclohexa-2,4-dienyl)-phenylmethanone IUPAC Name: (6,6-dihydroxy-3-nitrocyclohexa-2,4-dien-1-yl)-phenylmethanone Traditional Name: (6,6-dihydroxy-3-nitro-cyclohexa-2,4-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=C(C=CC2(O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2C=C(C=CC2(O)O)[N+](=O)[O-]

InChI

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