2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 2-(acetoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(acetoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Formula: C17H14N2O8-2 MolecularWeight: 374.30166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O8/c1-8-13(16(21)22)14(10-4-3-5-11(6-10)19(25)26)15(17(23)24)12(18-8)7-27-9(2)20/h3-6,14,18H,7H2,1-2H3,(H,21,22)(H,23,24)/p-2