dimethyl 2-[[3-[(E)-3-(6-methyl-2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)-3-oxidanylidene-prop-1-enyl]phenyl]carbonylamino]butanedioate

Systemtic Name: dimethyl 2-[[3-[(E)-3-(6-methyl-2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)-3-oxidanylidene-prop-1-enyl]phenyl]carbonylamino]butanedioate Openeye Name: dimethyl 2-[[3-[(E)-3-(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)-3-oxo-prop-1-enyl]benzoyl]amino]butanedioate CAS Name: 2-[[[3-[(E)-3-(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenyl]-oxomethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-[(E)-3-(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]benzoyl]amino]butanedioate Traditional Name: 2-[[3-[(E)-3-(2-hydroxy-4-keto-6-methyl-1H-pyridin-3-yl)-3-keto-prop-1-enyl]benzoyl]amino]succinic acid dimethyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1)O)C(=O)C=CC2=CC(=CC=C2)C(=O)NC(CC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=O)C(=C(N1)O)C(=O)/C=C/C2=CC(=CC=C2)C(=O)NC(CC(=O)OC)C(=O)OC

InChI

InChI=1S/C22H22N2O8/c1-12-9-17(26)19(21(29)23-12)16(25)8-7-13-5-4-6-14(10-13)20(28)24-15(22(30)32-3)11-18(27)31-2/h4-10,15H,11H2,1-3H3,(H,24,28)(H2,23,26,29)/b8-7+