3-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)propanoic acid

Systemtic Name: 3-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)propanoic acid Openeye Name: 3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoic acid CAS Name: 3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoic acid IUPAC Name: 3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanoic acid Traditional Name: 3-(3-keto-5-methyl-3-pyrazolin-4-yl)propionic acid Formula: C7H10N2O3 MolecularWeight: 170.1659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)NN1)CCC(=O)O

InChI

InChI=1S/C7H10N2O3/c1-4-5(2-3-6(10)11)7(12)9-8-4/h2-3H2,1H3,(H,10,11)(H2,8,9,12)