methyl (3R,4S)-4-(2,4-dimethoxy-6-oxidanyl-phenyl)-6-nitro-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate

Systemtic Name: methyl (3R,4S)-4-(2,4-dimethoxy-6-oxidanyl-phenyl)-6-nitro-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate Openeye Name: methyl (3R,4S)-4-(2-hydroxy-4,6-dimethoxy-phenyl)-6-nitro-2-oxo-chromane-3-carboxylate CAS Name: (3R,4S)-4-(2-hydroxy-4,6-dimethoxyphenyl)-6-nitro-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-(2-hydroxy-4,6-dimethoxyphenyl)-6-nitro-2-oxo-3,4-dihydrochromene-3-carboxylate Traditional Name: (3R,4S)-4-(2-hydroxy-4,6-dimethoxy-phenyl)-2-keto-6-nitro-chroman-3-carboxylic acid methyl ester Formula: C19H17NO9 MolecularWeight: 403.33958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C2C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)OC)O

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)[C@H]2[C@@H](C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)OC)O

InChI

InChI=1S/C19H17NO9/c1-26-10-7-12(21)16(14(8-10)27-2)15-11-6-9(20(24)25)4-5-13(11)29-19(23)17(15)18(22)28-3/h4-8,15,17,21H,1-3H3/t15-,17+/m0/s1