ethyl 5-[(7-bromanyl-1-oxidanylidene-3-propoxy-2H-quinoxalin-1-ium-2-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[(7-bromanyl-1-oxidanylidene-3-propoxy-2H-quinoxalin-1-ium-2-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[(7-bromo-1-oxo-3-propoxy-2H-quinoxalin-1-ium-2-yl)methyl]-4,5-dihydroisoxazole-3-carboxylate CAS Name: 5-[(7-bromo-1-oxo-3-propoxy-2H-quinoxalin-1-ium-2-yl)methyl]-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(7-bromo-1-oxo-3-propoxy-2H-quinoxalin-1-ium-2-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: 5-[(7-bromo-1-keto-3-propoxy-2H-quinoxalin-1-ium-2-yl)methyl]-2-isoxazoline-3-carboxylic acid ethyl ester Formula: C18H21BrN3O5+ MolecularWeight: 439.28044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(C=C(C=C2)Br)[N+](=O)C1CC3CC(=NO3)C(=O)OCC

Isomeric SMILES

CCCOC1=NC2=C(C=C(C=C2)Br)[N+](=O)C1CC3CC(=NO3)C(=O)OCC

InChI

InChI=1S/C18H21BrN3O5/c1-3-7-26-17-16(10-12-9-14(21-27-12)18(23)25-4-2)22(24)15-8-11(19)5-6-13(15)20-17/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3/q+1