3-methyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-imidazole-4,5-dicarboxylic acid

Systemtic Name: 3-methyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-imidazole-4,5-dicarboxylic acid Openeye Name: 3-methyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-imidazole-4,5-dicarboxylic acid CAS Name: 3-methyl-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-imidazole-4,5-dicarboxylic acid IUPAC Name: 3-methyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-imidazole-4,5-dicarboxylic acid Traditional Name: 2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1-methyl-4-imidazoline-4,5-dicarboxylic acid Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(NC1=C2C=CC(=O)C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CN1C(=C(NC1=C2C=CC(=O)C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H10N2O5/c1-14-9(12(18)19)8(11(16)17)13-10(14)6-2-4-7(15)5-3-6/h2-5,13H,1H3,(H,16,17)(H,18,19)