6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-(hydroxymethyl)-5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-2-methyl-6-methylol-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7/c1-8-12(15(20)21)13(9-4-3-5-10(6-9)18(23)24)14(16(22)25-2)11(7-19)17-8/h3-6,13,17,19H,7H2,1-2H3,(H,20,21)