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

Systemtic Name: 3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-2-carboxylic acid Openeye Name: 3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-2-carboxylic acid CAS Name: 3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-2-carboxylic acid IUPAC Name: 3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-2-carboxylic acid Traditional Name: 3,5-dicarbethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-2-carboxylic acid Formula: C19H20N2O8 MolecularWeight: 404.3707

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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)OCC)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O8/c1-4-28-18(24)13-10(3)20-16(17(22)23)15(19(25)29-5-2)14(13)11-7-6-8-12(9-11)21(26)27/h6-9,14,20H,4-5H2,1-3H3,(H,22,23)