ethyl 1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[2-(4-bromoanilino)-2-oxo-ethyl]triazole-4-carboxylate CAS Name: 1-[2-(4-bromoanilino)-2-oxoethyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromoanilino)-2-oxoethyl]triazole-4-carboxylate Traditional Name: 1-[2-(4-bromoanilino)-2-keto-ethyl]triazole-4-carboxylic acid ethyl ester Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O3/c1-2-21-13(20)11-7-18(17-16-11)8-12(19)15-10-5-3-9(14)4-6-10/h3-7H,2,8H2,1H3,(H,15,19)