methyl 2,2-dimethyl-4-(3-nitro-2-oxidanylidene-pyridin-1-yl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylate

Systemtic Name: methyl 2,2-dimethyl-4-(3-nitro-2-oxidanylidene-pyridin-1-yl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylate Openeye Name: methyl 3-hydroxy-2,2-dimethyl-4-(3-nitro-2-oxo-1-pyridyl)chromane-6-carboxylate CAS Name: 3-hydroxy-2,2-dimethyl-4-(3-nitro-2-oxo-1-pyridinyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-2,2-dimethyl-4-(3-nitro-2-oxopyridin-1-yl)-3,4-dihydrochromene-6-carboxylate Traditional Name: 3-hydroxy-4-(2-keto-3-nitro-1-pyridyl)-2,2-dimethyl-chroman-6-carboxylic acid methyl ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C(=O)OC)N3C=CC=C(C3=O)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C(=O)OC)N3C=CC=C(C3=O)[N+](=O)[O-])O)C

InChI

InChI=1S/C18H18N2O7/c1-18(2)15(21)14(19-8-4-5-12(16(19)22)20(24)25)11-9-10(17(23)26-3)6-7-13(11)27-18/h4-9,14-15,21H,1-3H3