ethyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)pyridine-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)pyridine-3-carboxylate Openeye Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)pyridine-3-carboxylate CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)pyridine-3-carboxylate Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-bromophenyl)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=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Br)N

InChI

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