2-phenyl-4-(1,2,4-triazol-1-yl)butanoate

Systemtic Name: 2-phenyl-4-(1,2,4-triazol-1-yl)butanoate Openeye Name: 2-phenyl-4-(1,2,4-triazol-1-yl)butanoate CAS Name: 2-phenyl-4-(1,2,4-triazol-1-yl)butanoate IUPAC Name: 2-phenyl-4-(1,2,4-triazol-1-yl)butanoate Traditional Name: 2-phenyl-4-(1,2,4-triazol-1-yl)butyrate Formula: C12H12N3O2- MolecularWeight: 230.24258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN2C=NC=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CCN2C=NC=N2)C(=O)[O-]

InChI

InChI=1S/C12H13N3O2/c16-12(17)11(10-4-2-1-3-5-10)6-7-15-9-13-8-14-15/h1-5,8-9,11H,6-7H2,(H,16,17)/p-1