2-(2-chloranylethanoyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(2-chloranylethanoyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-[(2-chloroacetyl)oxymethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-[(2-chloro-1-oxoethoxy)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-[(2-chloroacetyl)oxymethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-[(2-chloroacetyl)oxymethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H15ClN2O8 MolecularWeight: 410.7626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COC(=O)CCl)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)COC(=O)CCl)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H15ClN2O8/c1-8-13(16(22)23)14(9-3-2-4-10(5-9)20(26)27)15(17(24)25)11(19-8)7-28-12(21)6-18/h2-5,14,19H,6-7H2,1H3,(H,22,23)(H,24,25)