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

Systemtic Name: dimethyl 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C15H15BrN4O5 MolecularWeight: 411.2074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC)Br

InChI

InChI=1S/C15H15BrN4O5/c1-8-6-9(4-5-10(8)16)17-11(21)7-20-13(15(23)25-3)12(18-19-20)14(22)24-2/h4-6H,7H2,1-3H3,(H,17,21)