2-(3-carboxy-4-methyl-phenyl)-3,5-bis(oxidanylidene)-1,2,4-triazine-6-carboxylic acid

Systemtic Name: 2-(3-carboxy-4-methyl-phenyl)-3,5-bis(oxidanylidene)-1,2,4-triazine-6-carboxylic acid Openeye Name: 2-(3-carboxy-4-methyl-phenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid CAS Name: 2-(3-carboxy-4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid IUPAC Name: 2-(3-carboxy-4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid Traditional Name: 2-(3-carboxy-4-methyl-phenyl)-3,5-diketo-1,2,4-triazine-6-carboxylic acid Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)NC(=O)C(=N2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)NC(=O)C(=N2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H9N3O6/c1-5-2-3-6(4-7(5)10(17)18)15-12(21)13-9(16)8(14-15)11(19)20/h2-4H,1H3,(H,17,18)(H,19,20)(H,13,16,21)