5-[2-(2-acetamidoethoxy)-2-oxidanylidene-ethanoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-[2-(2-acetamidoethoxy)-2-oxidanylidene-ethanoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[2-(2-acetamidoethoxy)-2-oxo-acetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[2-(2-acetamidoethoxy)-1,2-dioxoethyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-[2-(2-acetamidoethoxy)-2-oxoacetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[2-(2-acetamidoethoxy)-2-keto-acetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C20H21N3O8 MolecularWeight: 431.39604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O8/c1-10-15(18(25)20(28)31-8-7-21-12(3)24)17(16(19(26)27)11(2)22-10)13-5-4-6-14(9-13)23(29)30/h4-6,9,17,22H,7-8H2,1-3H3,(H,21,24)(H,26,27)