methyl (3R,4R)-5,7-dimethoxy-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate

Systemtic Name: methyl (3R,4R)-5,7-dimethoxy-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate Openeye Name: methyl (3R,4R)-5,7-dimethoxy-4-(4-nitrophenyl)-2-oxo-chromane-3-carboxylate CAS Name: (3R,4R)-5,7-dimethoxy-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-5,7-dimethoxy-4-(4-nitrophenyl)-2-oxo-3,4-dihydrochromene-3-carboxylate Traditional Name: (3R,4R)-2-keto-5,7-dimethoxy-4-(4-nitrophenyl)chroman-3-carboxylic acid methyl ester Formula: C19H17NO8 MolecularWeight: 387.34018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(C(C(=O)OC2=C1)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C2[C@H]([C@@H](C(=O)OC2=C1)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17NO8/c1-25-12-8-13(26-2)16-14(9-12)28-19(22)17(18(21)27-3)15(16)10-4-6-11(7-5-10)20(23)24/h4-9,15,17H,1-3H3/t15-,17-/m1/s1