2-(methylazaniumyl)-3-(3-oxidanylidene-7,8-dihydro-6H-cyclohepta[d][1,2]oxazol-4-yl)propanoate

Systemtic Name: 2-(methylazaniumyl)-3-(3-oxidanylidene-7,8-dihydro-6H-cyclohepta[d][1,2]oxazol-4-yl)propanoate Openeye Name: 2-(methylammonio)-3-(3-oxo-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)propanoate CAS Name: 2-(methylammonio)-3-(3-oxo-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)propanoate IUPAC Name: 2-(methylazaniumyl)-3-(3-oxo-7,8-dihydro-6H-cyclohepta[d][1,2]oxazol-4-yl)propanoate Traditional Name: 3-(3-keto-7,8-dihydro-6H-cyclohept[d]isoxazol-4-yl)-2-(methylammonio)propionate Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C(CC1=CCCCC2=C1C(=O)NO2)C(=O)[O-]

Isomeric SMILES

C[NH2+]C(CC1=CCCCC2=C1C(=O)NO2)C(=O)[O-]

InChI

InChI=1S/C12H16N2O4/c1-13-8(12(16)17)6-7-4-2-3-5-9-10(7)11(15)14-18-9/h4,8,13H,2-3,5-6H2,1H3,(H,14,15)(H,16,17)