6-methyl-6-nitro-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-methyl-6-nitro-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-methyl-6-nitro-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-methyl-6-nitro-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-methyl-6-nitrocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-methyl-6-nitro-cyclohexa-2,4-diene-1-carboxylic acid Formula: C8H9NO4 MolecularWeight: 183.16136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO4/c1-8(9(12)13)5-3-2-4-6(8)7(10)11/h2-6H,1H3,(H,10,11)