[4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-ethoxypyridine-3-carboxylate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO4/c1-2-23-17-15(5-3-11-20-17)18(22)24-12-4-6-16(21)13-7-9-14(19)10-8-13/h3,5,7-11H,2,4,6,12H2,1H3