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

Systemtic Name: methyl 5-azanyl-1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-amino-1-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]triazole-4-carboxylate CAS Name: 5-amino-1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]triazole-4-carboxylate Traditional Name: 5-amino-1-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]triazole-4-carboxylic acid methyl ester Formula: C13H14BrN5O3 MolecularWeight: 368.18596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)OC)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)OC)N)Br

InChI

InChI=1S/C13H14BrN5O3/c1-7-5-8(3-4-9(7)14)16-10(20)6-19-12(15)11(17-18-19)13(21)22-2/h3-5H,6,15H2,1-2H3,(H,16,20)