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

Systemtic Name: tert-butyl 5-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-pyridin-4-yl-benzoate Openeye Name: tert-butyl 5-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-2-(4-pyridyl)benzoate CAS Name: 5-(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-pyridin-4-ylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-pyridin-4-ylbenzoate Traditional Name: 5-(3,6-diketo-4,5-dimethoxy-2-methyl-cyclohexa-1,4-dien-1-yl)-2-(4-pyridyl)benzoic acid tert-butyl ester Formula: C25H25NO6 MolecularWeight: 435.4691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO6/c1-14-19(21(28)23(31-6)22(30-5)20(14)27)16-7-8-17(15-9-11-26-12-10-15)18(13-16)24(29)32-25(2,3)4/h7-13H,1-6H3