2-azanyl-3-[3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 2-amino-3-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 2-amino-3-[3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 2-amino-3-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 2-amino-3-[3-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propionic acid Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NOC(=N2)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=O)C=CC1=C2NOC(=N2)CC(C(=O)O)N

InChI

InChI=1S/C11H11N3O4/c12-8(11(16)17)5-9-13-10(14-18-9)6-1-3-7(15)4-2-6/h1-4,8,14H,5,12H2,(H,16,17)