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

Systemtic Name: 6-[3-azanyl-4-(4,5-dimethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-5-methyl-1H-pyridin-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[3-amino-4-(4,5-dimethoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-methyl-1H-pyridin-2-yl]pyridine-3-carboxylic acid CAS Name: 6-[3-amino-4-(4,5-dimethoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-methyl-1H-pyridin-2-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-amino-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-methyl-1H-pyridin-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[3-amino-4-(6-keto-4,5-dimethoxy-cyclohexa-2,4-dien-1-ylidene)-5-methyl-1H-pyridin-2-yl]nicotinic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-10-8-23-17(13-6-4-11(9-22-13)20(25)26)16(21)15(10)12-5-7-14(27-2)19(28-3)18(12)24/h4-9,23H,21H2,1-3H3,(H,25,26)