3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanoate

Systemtic Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanoate Openeye Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanoate CAS Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanoate IUPAC Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)propionate Formula: C7H10N3O2- MolecularWeight: 168.1732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C)CCC(=O)[O-]

Isomeric SMILES

CC1=NN(C(=N1)C)CCC(=O)[O-]

InChI

InChI=1S/C7H11N3O2/c1-5-8-6(2)10(9-5)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12)/p-1