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

Systemtic Name: methyl (3R,4R)-4-(4-nitrophenyl)-7-oxidanyl-2-oxidanylidene-3,4-dihydrochromene-3-carboxylate Openeye Name: methyl (3R,4R)-7-hydroxy-4-(4-nitrophenyl)-2-oxo-chromane-3-carboxylate CAS Name: (3R,4R)-7-hydroxy-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-7-hydroxy-4-(4-nitrophenyl)-2-oxo-3,4-dihydrochromene-3-carboxylate Traditional Name: (3R,4R)-7-hydroxy-2-keto-4-(4-nitrophenyl)chroman-3-carboxylic acid methyl ester Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(C=C(C=C2)O)OC1=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1[C@@H](C2=C(C=C(C=C2)O)OC1=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO7/c1-24-16(20)15-14(9-2-4-10(5-3-9)18(22)23)12-7-6-11(19)8-13(12)25-17(15)21/h2-8,14-15,19H,1H3/t14-,15-/m1/s1