2-[3-[(3E)-3-(5-oxidanylidenepyridin-2-ylidene)-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[3-[(3E)-3-(5-oxidanylidenepyridin-2-ylidene)-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid Openeye Name: 2-[3-[(3E)-3-(5-oxo-2-pyridylidene)isoxazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid CAS Name: 2-[[1-oxo-3-[(3E)-3-(5-oxo-2-pyridinylidene)-5-isoxazolyl]propyl]amino]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[3-[(3E)-3-(5-oxopyridin-2-ylidene)-1,2-oxazol-5-yl]propanoylamino]cyclohexene-1-carboxylic acid Traditional Name: 2-[3-[(3E)-3-(5-keto-2-pyridylidene)-4-isoxazolin-5-yl]propanoylamino]cyclohexene-1-carboxylic acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=CC(=C3C=CC(=O)C=N3)NO2

Isomeric SMILES

C1CCC(=C(C1)C(=O)O)NC(=O)CCC2=C/C(=C\3/C=CC(=O)C=N3)/NO2

InChI

InChI=1S/C18H19N3O5/c22-11-5-7-15(19-10-11)16-9-12(26-21-16)6-8-17(23)20-14-4-2-1-3-13(14)18(24)25/h5,7,9-10,21H,1-4,6,8H2,(H,20,23)(H,24,25)/b16-15+