2-azaniumyl-3-(5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)propanoate

Systemtic Name: 2-azaniumyl-3-(5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)propanoate Openeye Name: 2-azaniumyl-3-(5-methyl-3-oxo-isoxazol-4-yl)propanoate CAS Name: 2-ammonio-3-(5-methyl-3-oxo-4-isoxazolyl)propanoate IUPAC Name: 2-azaniumyl-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoate Traditional Name: 2-ammonio-3-(3-keto-5-methyl-4-isoxazolin-4-yl)propionate Formula: C7H10N2O4 MolecularWeight: 186.1653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NO1)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=C(C(=O)NO1)CC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)