5-methoxycarbonyl-1-nitro-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 5-methoxycarbonyl-1-nitro-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 5-methoxycarbonyl-1-nitro-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 5-methoxycarbonyl-1-nitro-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 5-methoxycarbonyl-1-nitrocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 5-carbomethoxy-1-nitro-cyclohexa-2,4-diene-1-carboxylic acid Formula: C9H9NO6 MolecularWeight: 227.17086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO6/c1-16-7(11)6-3-2-4-9(5-6,8(12)13)10(14)15/h2-4H,5H2,1H3,(H,12,13)