4-(2-bromophenyl)-2,6-bis(methoxycarbonyl)-5-methyl-pyridine-3-carboxylic acid

Systemtic Name: 4-(2-bromophenyl)-2,6-bis(methoxycarbonyl)-5-methyl-pyridine-3-carboxylic acid Openeye Name: 4-(2-bromophenyl)-2,6-bis(methoxycarbonyl)-5-methyl-pyridine-3-carboxylic acid CAS Name: 4-(2-bromophenyl)-2,6-bis(methoxycarbonyl)-5-methyl-3-pyridinecarboxylic acid IUPAC Name: 4-(2-bromophenyl)-2,6-bis(methoxycarbonyl)-5-methylpyridine-3-carboxylic acid Traditional Name: 4-(2-bromophenyl)-2,6-dicarbomethoxy-5-methyl-nicotinic acid Formula: C17H14BrNO6 MolecularWeight: 408.20016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C2=CC=CC=C2Br)C(=O)O)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(N=C(C(=C1C2=CC=CC=C2Br)C(=O)O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H14BrNO6/c1-8-11(9-6-4-5-7-10(9)18)12(15(20)21)14(17(23)25-3)19-13(8)16(22)24-2/h4-7H,1-3H3,(H,20,21)