phenyl 3-bromanyl-4-(dimethylamino)-5-oxidanylidene-1,2,4-triazole-1-carboxylate

Systemtic Name: phenyl 3-bromanyl-4-(dimethylamino)-5-oxidanylidene-1,2,4-triazole-1-carboxylate Openeye Name: phenyl 3-bromo-4-(dimethylamino)-5-oxo-1,2,4-triazole-1-carboxylate CAS Name: 3-bromo-4-(dimethylamino)-5-oxo-1,2,4-triazole-1-carboxylic acid phenyl ester IUPAC Name: phenyl 3-bromo-4-(dimethylamino)-5-oxo-1,2,4-triazole-1-carboxylate Traditional Name: 3-bromo-4-(dimethylamino)-5-keto-1,2,4-triazole-1-carboxylic acid phenyl ester Formula: C11H11BrN4O3 MolecularWeight: 327.13404

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N1C(=NN(C1=O)C(=O)OC2=CC=CC=C2)Br

Isomeric SMILES

CN(C)N1C(=NN(C1=O)C(=O)OC2=CC=CC=C2)Br

InChI

InChI=1S/C11H11BrN4O3/c1-14(2)16-9(12)13-15(10(16)17)11(18)19-8-6-4-3-5-7-8/h3-7H,1-2H3