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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1(CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C8H9NO4/c1-8(7(10)11)4-2-6(3-5-8)9(12)13/h2-4H,5H2,1H3,(H,10,11)