1-methyl-5-oxidanylidene-4-propan-2-yl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-methyl-5-oxidanylidene-4-propan-2-yl-1,2,4-triazole-3-carboxylic acid Openeye Name: 4-isopropyl-1-methyl-5-oxo-1,2,4-triazole-3-carboxylic acid CAS Name: 1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazole-3-carboxylic acid Traditional Name: 4-isopropyl-5-keto-1-methyl-1,2,4-triazole-3-carboxylic acid Formula: C7H11N3O3 MolecularWeight: 185.18054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=O)C)C(=O)O

Isomeric SMILES

CC(C)N1C(=NN(C1=O)C)C(=O)O

InChI

InChI=1S/C7H11N3O3/c1-4(2)10-5(6(11)12)8-9(3)7(10)13/h4H,1-3H3,(H,11,12)