2-(hydroxymethyl)-5-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)pyridine-3-carboxylate

Systemtic Name: 2-(hydroxymethyl)-5-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)pyridine-3-carboxylate Openeye Name: 2-(hydroxymethyl)-5-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)pyridine-3-carboxylate CAS Name: 2-(hydroxymethyl)-5-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)-3-pyridinecarboxylate IUPAC Name: 2-(hydroxymethyl)-5-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)pyridine-3-carboxylate Traditional Name: 5-carbomethoxy-6-methyl-2-methylol-4-(2-nitrophenyl)nicotinate Formula: C16H13N2O7- MolecularWeight: 345.28362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O7/c1-8-12(16(22)25-2)13(14(15(20)21)10(7-19)17-8)9-5-3-4-6-11(9)18(23)24/h3-6,19H,7H2,1-2H3,(H,20,21)/p-1