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

Systemtic Name: (2-methyl-4-nitro-4-oxidanyl-cyclohexa-2,5-dien-1-yl)-phenyl-methanone Openeye Name: (4-hydroxy-2-methyl-4-nitro-cyclohexa-2,5-dien-1-yl)-phenyl-methanone CAS Name: (4-hydroxy-2-methyl-4-nitro-1-cyclohexa-2,5-dienyl)-phenylmethanone IUPAC Name: (4-hydroxy-2-methyl-4-nitrocyclohexa-2,5-dien-1-yl)-phenylmethanone Traditional Name: (4-hydroxy-2-methyl-4-nitro-cyclohexa-2,5-dien-1-yl)-phenyl-methanone Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C=CC1C(=O)C2=CC=CC=C2)([N+](=O)[O-])O

Isomeric SMILES

CC1=CC(C=CC1C(=O)C2=CC=CC=C2)([N+](=O)[O-])O

InChI

InChI=1S/C14H13NO4/c1-10-9-14(17,15(18)19)8-7-12(10)13(16)11-5-3-2-4-6-11/h2-9,12,17H,1H3