ethyl 2-(bromomethyl)-4-(3-nitrophenyl)-6-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-(bromomethyl)-4-(3-nitrophenyl)-6-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 2-(bromomethyl)-4-(3-nitrophenyl)-6-phenyl-pyridine-3-carboxylate CAS Name: 2-(bromomethyl)-4-(3-nitrophenyl)-6-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(bromomethyl)-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxylate Traditional Name: 2-(bromomethyl)-4-(3-nitrophenyl)-6-phenyl-nicotinic acid ethyl ester Formula: C21H17BrN2O4 MolecularWeight: 441.27468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)CBr

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)CBr

InChI

InChI=1S/C21H17BrN2O4/c1-2-28-21(25)20-17(15-9-6-10-16(11-15)24(26)27)12-18(23-19(20)13-22)14-7-4-3-5-8-14/h3-12H,2,13H2,1H3