methyl 5-[(4-chlorophenyl)amino]-2-(2-dimethylaminoethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 5-[(4-chlorophenyl)amino]-2-(2-dimethylaminoethyl)-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-(4-chloroanilino)-2-(2-dimethylaminoethyl)triazole-4-carboxylate CAS Name: 5-(4-chloroanilino)-2-(2-dimethylaminoethyl)-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-chloroanilino)-2-(2-dimethylaminoethyl)triazole-4-carboxylate Traditional Name: 5-(4-chloroanilino)-2-(2-dimethylaminoethyl)triazole-4-carboxylic acid methyl ester Formula: C14H18ClN5O2 MolecularWeight: 323.77802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1N=C(C(=N1)NC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CN(C)CCN1N=C(C(=N1)NC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C14H18ClN5O2/c1-19(2)8-9-20-17-12(14(21)22-3)13(18-20)16-11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,16,18)