1-methyl-3-nitro-cyclohexa-2,5-diene-1,4-dicarboxylic acid

Systemtic Name: 1-methyl-3-nitro-cyclohexa-2,5-diene-1,4-dicarboxylic acid Openeye Name: 1-methyl-3-nitro-cyclohexa-2,5-diene-1,4-dicarboxylic acid CAS Name: 1-methyl-3-nitrocyclohexa-2,5-diene-1,4-dicarboxylic acid IUPAC Name: 1-methyl-3-nitrocyclohexa-2,5-diene-1,4-dicarboxylic acid Traditional Name: 1-methyl-3-nitro-cyclohexa-2,5-diene-1,4-dicarboxylic acid Formula: C9H9NO6 MolecularWeight: 227.17086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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