6-(hydroxymethyl)-2-methyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-pyridine-3-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)-2-methyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-pyridine-3-carboxylic acid Openeye Name: 6-(hydroxymethyl)-5-isopropoxycarbonyl-2-methyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 6-(hydroxymethyl)-2-methyl-4-(3-nitrophenyl)-5-[oxo(propan-2-yloxy)methyl]-3-pyridinecarboxylic acid IUPAC Name: 6-(hydroxymethyl)-2-methyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonylpyridine-3-carboxylic acid Traditional Name: 5-isopropoxycarbonyl-2-methyl-6-methylol-4-(3-nitrophenyl)nicotinic acid Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)CO

Isomeric SMILES

CC1=NC(=C(C(=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C)CO

InChI

InChI=1S/C18H18N2O7/c1-9(2)27-18(24)16-13(8-21)19-10(3)14(17(22)23)15(16)11-5-4-6-12(7-11)20(25)26/h4-7,9,21H,8H2,1-3H3,(H,22,23)