5-(butylamino)-1-(4-methylphenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 5-(butylamino)-1-(4-methylphenyl)-1,2,3-triazole-4-carboxylate Openeye Name: 5-(butylamino)-1-(p-tolyl)triazole-4-carboxylate CAS Name: 5-(butylamino)-1-(4-methylphenyl)-4-triazolecarboxylate IUPAC Name: 5-(butylamino)-1-(4-methylphenyl)triazole-4-carboxylate Traditional Name: 5-(butylamino)-1-(p-tolyl)triazole-4-carboxylate Formula: C14H17N4O2- MolecularWeight: 273.31038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(N=NN1C2=CC=C(C=C2)C)C(=O)[O-]

Isomeric SMILES

CCCCNC1=C(N=NN1C2=CC=C(C=C2)C)C(=O)[O-]

InChI

InChI=1S/C14H18N4O2/c1-3-4-9-15-13-12(14(19)20)16-17-18(13)11-7-5-10(2)6-8-11/h5-8,15H,3-4,9H2,1-2H3,(H,19,20)/p-1