2-azanyl-2-(3-oxidanylidene-1,2-oxazol-5-yl)ethanoic acid hydrate

Systemtic Name: 2-azanyl-2-(3-oxidanylidene-1,2-oxazol-5-yl)ethanoic acid hydrate Openeye Name: 2-amino-2-(3-oxoisoxazol-5-yl)acetic acid hydrate CAS Name: 2-amino-2-(3-oxo-5-isoxazolyl)acetic acid hydrate IUPAC Name: 2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid hydrate Traditional Name: ibotenic acid hydrate Formula: C5H8N2O5 MolecularWeight: 176.12742

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(ONC1=O)C(C(=O)O)N.O

Isomeric SMILES

C1=C(ONC1=O)C(C(=O)O)N.O

InChI

InChI=1S/C5H6N2O4.H2O/c6-4(5(9)10)2-1-3(8)7-11-2;/h1,4H,6H2,(H,7,8)(H,9,10);1H2