methyl 3-[(4-bromophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-[(4-bromophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C11H9BrN4O3 MolecularWeight: 325.11816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=NC(=NN1)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H9BrN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16,17)