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

Systemtic Name: methyl 5-[(4-bromophenyl)amino]-2-(2-diethylaminoethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-(4-bromoanilino)-2-(2-diethylaminoethyl)triazole-4-carboxylate CAS Name: 5-(4-bromoanilino)-2-(2-diethylaminoethyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-bromoanilino)-2-(2-diethylaminoethyl)triazole-4-carboxylate Traditional Name: 5-(4-bromoanilino)-2-(2-diethylaminoethyl)triazole-4-carboxylic acid methyl ester Formula: C16H22BrN5O2 MolecularWeight: 396.28218

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1N=C(C(=N1)NC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CCN(CC)CCN1N=C(C(=N1)NC2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C16H22BrN5O2/c1-4-21(5-2)10-11-22-19-14(16(23)24-3)15(20-22)18-13-8-6-12(17)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,18,20)