2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-(acetoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-(acetyloxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-(acetoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O6/c1-9-6-13(11-4-3-5-12(7-11)18(22)23)15(16(20)21)14(17-9)8-24-10(2)19/h3-7,13,17H,8H2,1-2H3,(H,20,21)