methyl 4-[bis(6-methyl-2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)methyl]benzoate

Systemtic Name: methyl 4-[bis(6-methyl-2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)methyl]benzoate Openeye Name: methyl 4-[bis(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]benzoate CAS Name: 4-[bis(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[bis(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]benzoate Traditional Name: 4-[bis(2-hydroxy-4-keto-6-methyl-1H-pyridin-3-yl)methyl]benzoic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1)O)C(C2=CC=C(C=C2)C(=O)OC)C3=C(NC(=CC3=O)C)O

Isomeric SMILES

CC1=CC(=O)C(=C(N1)O)C(C2=CC=C(C=C2)C(=O)OC)C3=C(NC(=CC3=O)C)O

InChI

InChI=1S/C21H20N2O6/c1-10-8-14(24)17(19(26)22-10)16(18-15(25)9-11(2)23-20(18)27)12-4-6-13(7-5-12)21(28)29-3/h4-9,16H,1-3H3,(H2,22,24,26)(H2,23,25,27)