2,6-dimethyl-5-(2-methyl-2-oxidanyl-propoxy)carbonyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-5-(2-methyl-2-oxidanyl-propoxy)carbonyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid Openeye Name: 5-(2-hydroxy-2-methyl-propoxy)carbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 5-[(2-hydroxy-2-methylpropoxy)-oxomethyl]-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridinecarboxylic acid IUPAC Name: 5-(2-hydroxy-2-methylpropoxy)carbonyl-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid Traditional Name: 5-(2-hydroxy-2-methyl-propoxy)carbonyl-2,6-dimethyl-4-(2-nitrophenyl)nicotinic acid Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC(C)(C)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC(C)(C)O

InChI

InChI=1S/C19H20N2O7/c1-10-14(17(22)23)16(12-7-5-6-8-13(12)21(26)27)15(11(2)20-10)18(24)28-9-19(3,4)25/h5-8,25H,9H2,1-4H3,(H,22,23)