methyl 3-(4-chloranylbutanoylamino)-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: methyl 3-(4-chloranylbutanoylamino)-1H-1,2,4-triazole-5-carboxylate Openeye Name: methyl 3-(4-chlorobutanoylamino)-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[(4-chloro-1-oxobutyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-chlorobutanoylamino)-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-(4-chlorobutanoylamino)-1H-1,2,4-triazole-5-carboxylic acid methyl ester Formula: C8H11ClN4O3 MolecularWeight: 246.65094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=NN1)NC(=O)CCCCl

Isomeric SMILES

COC(=O)C1=NC(=NN1)NC(=O)CCCCl

InChI

InChI=1S/C8H11ClN4O3/c1-16-7(15)6-11-8(13-12-6)10-5(14)3-2-4-9/h2-4H2,1H3,(H2,10,11,12,13,14)