6-(acetyloxymethyl)-2-cyano-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-pyridine-3-carboxylic acid

Systemtic Name: 6-(acetyloxymethyl)-2-cyano-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-pyridine-3-carboxylic acid Openeye Name: 6-(acetoxymethyl)-2-cyano-5-isopropoxycarbonyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 6-(acetyloxymethyl)-2-cyano-4-(3-nitrophenyl)-5-[oxo(propan-2-yloxy)methyl]-3-pyridinecarboxylic acid IUPAC Name: 6-(acetyloxymethyl)-2-cyano-4-(3-nitrophenyl)-5-propan-2-yloxycarbonylpyridine-3-carboxylic acid Traditional Name: 6-(acetoxymethyl)-2-cyano-5-isopropoxycarbonyl-4-(3-nitrophenyl)nicotinic acid Formula: C20H17N3O8 MolecularWeight: 427.36428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C(=C(N=C1COC(=O)C)C#N)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=C(C(=C(N=C1COC(=O)C)C#N)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O8/c1-10(2)31-20(27)18-15(9-30-11(3)24)22-14(8-21)17(19(25)26)16(18)12-5-4-6-13(7-12)23(28)29/h4-7,10H,9H2,1-3H3,(H,25,26)