5-[[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]-2-pyridin-4-yl-benzoic acid

Systemtic Name: 5-[[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methyl]-2-pyridin-4-yl-benzoic acid Openeye Name: 5-[(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]-2-(4-pyridyl)benzoic acid CAS Name: 5-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]-2-pyridin-4-ylbenzoic acid IUPAC Name: 5-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2-pyridin-4-ylbenzoic acid Traditional Name: 5-[(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)methyl]-2-(4-pyridyl)benzoic acid Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC(=C(C=C2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=CC(=C(C=C2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C22H19NO6/c1-12-16(19(25)21(29-3)20(28-2)18(12)24)10-13-4-5-15(17(11-13)22(26)27)14-6-8-23-9-7-14/h4-9,11H,10H2,1-3H3,(H,26,27)