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

Systemtic Name: [4-methyl-3-nitro-4,5-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]-phenyl-methanone Openeye Name: (3,4-dihydroxy-4-methyl-5-nitro-cyclohexa-2,5-dien-1-yl)-phenyl-methanone CAS Name: (3,4-dihydroxy-4-methyl-5-nitro-1-cyclohexa-2,5-dienyl)-phenylmethanone IUPAC Name: (3,4-dihydroxy-4-methyl-5-nitrocyclohexa-2,5-dien-1-yl)-phenylmethanone Traditional Name: (3,4-dihydroxy-4-methyl-5-nitro-cyclohexa-2,5-dien-1-yl)-phenyl-methanone Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC(C=C1O)C(=O)C2=CC=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1(C(=CC(C=C1O)C(=O)C2=CC=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H13NO5/c1-14(18)11(15(19)20)7-10(8-12(14)16)13(17)9-5-3-2-4-6-9/h2-8,10,16,18H,1H3