4-(2-methylphenyl)-4-nitro-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-(2-methylphenyl)-4-nitro-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-nitro-4-(o-tolyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-(2-methylphenyl)-4-nitro-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-(2-methylphenyl)-4-nitrocyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-nitro-4-(o-tolyl)cyclohexa-2,5-diene-1-carboxylic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(C=CC(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2(C=CC(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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