3-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)propanoate

Systemtic Name: 3-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)propanoate Openeye Name: 3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoate CAS Name: 3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoate IUPAC Name: 3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoate Traditional Name: 3-(5-keto-3-methyl-3-pyrazolin-1-yl)propionate Formula: C7H9N2O3- MolecularWeight: 169.15796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(N1)CCC(=O)[O-]

InChI

InChI=1S/C7H10N2O3/c1-5-4-6(10)9(8-5)3-2-7(11)12/h4,8H,2-3H2,1H3,(H,11,12)/p-1