3-azanyl-3-[(3Z)-3-(2H-1,2-oxazol-5-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid

Systemtic Name: 3-azanyl-3-[(3Z)-3-(2H-1,2-oxazol-5-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 3-amino-3-[(3Z)-3-(2H-isoxazol-5-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 3-amino-3-[(3Z)-3-(2H-isoxazol-5-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 3-amino-3-[(3Z)-3-(2H-1,2-oxazol-5-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 3-amino-3-[(3Z)-3-(3-isoxazolin-5-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=C2C=CNO2)C=C1C(CC(=O)O)N

Isomeric SMILES

C1=CC(=O)/C(=C\2/C=CNO2)/C=C1C(CC(=O)O)N

InChI

InChI=1S/C12H12N2O4/c13-9(6-12(16)17)7-1-2-10(15)8(5-7)11-3-4-14-18-11/h1-5,9,14H,6,13H2,(H,16,17)/b11-8-