methyl 5-azanyl-1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-amino-1-[2-(4-bromoanilino)-2-oxo-ethyl]triazole-4-carboxylate CAS Name: 5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[2-(4-bromoanilino)-2-oxoethyl]triazole-4-carboxylate Traditional Name: 5-amino-1-[2-(4-bromoanilino)-2-keto-ethyl]triazole-4-carboxylic acid methyl ester Formula: C12H12BrN5O3 MolecularWeight: 354.15938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN5O3/c1-21-12(20)10-11(14)18(17-16-10)6-9(19)15-8-4-2-7(13)3-5-8/h2-5H,6,14H2,1H3,(H,15,19)