3-[(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)amino]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)amino]pyrazine-2-carboxylic acid Openeye Name: 3-[(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)amino]pyrazine-2-carboxylic acid CAS Name: 3-[(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)amino]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]pyrazine-2-carboxylic acid Traditional Name: 3-[(3-keto-4,5-dimethoxy-phthalan-1-yl)amino]pyrazinoic acid Formula: C15H13N3O6 MolecularWeight: 331.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC=CN=C3C(=O)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC=CN=C3C(=O)O)OC

InChI

InChI=1S/C15H13N3O6/c1-22-8-4-3-7-9(11(8)23-2)15(21)24-13(7)18-12-10(14(19)20)16-5-6-17-12/h3-6,13H,1-2H3,(H,17,18)(H,19,20)