4-[(2-phenyl-1,2,3-triazol-4-yl)carbonylamino]butanoate

Systemtic Name: 4-[(2-phenyl-1,2,3-triazol-4-yl)carbonylamino]butanoate Openeye Name: 4-[(2-phenyltriazole-4-carbonyl)amino]butanoate CAS Name: 4-[[oxo-(2-phenyl-4-triazolyl)methyl]amino]butanoate IUPAC Name: 4-[(2-phenyltriazole-4-carbonyl)amino]butanoate Traditional Name: 4-[(2-phenyltriazole-4-carbonyl)amino]butyrate Formula: C13H13N4O3- MolecularWeight: 273.26732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=CC(=N2)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2N=CC(=N2)C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C13H14N4O3/c18-12(19)7-4-8-14-13(20)11-9-15-17(16-11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,20)(H,18,19)/p-1