diethyl 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: diethyl 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: diethyl 1-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]triazole-4,5-dicarboxylic acid diethyl ester Formula: C17H19BrN4O5 MolecularWeight: 439.26056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=CC(=C(C=C2)Br)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=CC(=C(C=C2)Br)C)C(=O)OCC

InChI

InChI=1S/C17H19BrN4O5/c1-4-26-16(24)14-15(17(25)27-5-2)22(21-20-14)9-13(23)19-11-6-7-12(18)10(3)8-11/h6-8H,4-5,9H2,1-3H3,(H,19,23)