3-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-2-ium-4-yl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]NC(=O)C1CCC(=O)[O-]

Isomeric SMILES

CC1=[NH+]NC(=O)C1CCC(=O)[O-]

InChI

InChI=1S/C7H10N2O3/c1-4-5(2-3-6(10)11)7(12)9-8-4/h5H,2-3H2,1H3,(H,9,12)(H,10,11)