6-[3-azanyl-6-carboxy-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5-methyl-1H-pyridin-2-yl]pyridine-2,3-dicarboxylic acid

Systemtic Name: 6-[3-azanyl-6-carboxy-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5-methyl-1H-pyridin-2-yl]pyridine-2,3-dicarboxylic acid Openeye Name: 6-[3-amino-6-carboxy-4-(4,5-dimethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-methyl-1H-pyridin-2-yl]pyridine-2,3-dicarboxylic acid CAS Name: 6-[3-amino-6-carboxy-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-methyl-1H-pyridin-2-yl]pyridine-2,3-dicarboxylic acid IUPAC Name: 6-[3-amino-6-carboxy-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-methyl-1H-pyridin-2-yl]pyridine-2,3-dicarboxylic acid Traditional Name: 6-[3-amino-6-carboxy-4-(6-keto-4,5-dimethoxy-cyclohexa-2,4-dien-1-ylidene)-5-methyl-1H-pyridin-2-yl]quinolinic acid Formula: C22H19N3O9 MolecularWeight: 469.40096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C(C1=C2C=CC(=C(C2=O)OC)OC)N)C3=NC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(NC(=C(C1=C2C=CC(=C(C2=O)OC)OC)N)C3=NC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H19N3O9/c1-8-13(9-5-7-12(33-2)19(34-3)18(9)26)14(23)17(25-15(8)21(29)30)11-6-4-10(20(27)28)16(24-11)22(31)32/h4-7,25H,23H2,1-3H3,(H,27,28)(H,29,30)(H,31,32)