2-azaniumyl-3-(3-oxidanylidene-5,6-dihydro-4H-cyclohepta[d][1,2]oxazol-8-yl)propanoate

Systemtic Name: 2-azaniumyl-3-(3-oxidanylidene-5,6-dihydro-4H-cyclohepta[d][1,2]oxazol-8-yl)propanoate Openeye Name: 2-azaniumyl-3-(3-oxo-5,6-dihydro-4H-cyclohepta[d]isoxazol-8-yl)propanoate CAS Name: 2-ammonio-3-(3-oxo-5,6-dihydro-4H-cyclohepta[d]isoxazol-8-yl)propanoate IUPAC Name: 2-azaniumyl-3-(3-oxo-5,6-dihydro-4H-cyclohepta[d][1,2]oxazol-8-yl)propanoate Traditional Name: 2-ammonio-3-(3-keto-5,6-dihydro-4H-cyclohept[d]isoxazol-8-yl)propionate Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C2=C(C1)C(=O)NO2)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

C1CC=C(C2=C(C1)C(=O)NO2)CC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H14N2O4/c12-8(11(15)16)5-6-3-1-2-4-7-9(6)17-13-10(7)14/h3,8H,1-2,4-5,12H2,(H,13,14)(H,15,16)