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

Systemtic Name: diethyl 1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: diethyl 1-[2-(3-bromoanilino)-2-oxo-ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[2-(3-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-[2-(3-bromoanilino)-2-oxoethyl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-(3-bromoanilino)-2-keto-ethyl]triazole-4,5-dicarboxylic acid diethyl ester Formula: C16H17BrN4O5 MolecularWeight: 425.23398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O5/c1-3-25-15(23)13-14(16(24)26-4-2)21(20-19-13)9-12(22)18-11-7-5-6-10(17)8-11/h5-8H,3-4,9H2,1-2H3,(H,18,22)