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

Systemtic Name: 5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-2-methyl-6-methylol-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)CO

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)CO

InChI

InChI=1S/C17H18N2O7/c1-3-26-17(23)15-12(8-20)18-9(2)13(16(21)22)14(15)10-5-4-6-11(7-10)19(24)25/h4-7,14,18,20H,3,8H2,1-2H3,(H,21,22)