3-(3-cyanophenyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-(3-cyanophenyl)-5-(2-methoxy-2-oxidanylidene-ethyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 3-(3-cyanophenyl)-5-(2-methoxy-2-oxo-ethyl)-4H-isoxazole-5-carboxylic acid CAS Name: 3-(3-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 3-(3-cyanophenyl)-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-(3-cyanophenyl)-5-(2-keto-2-methoxy-ethyl)-2-isoxazoline-5-carboxylic acid Formula: C14H12N2O5 MolecularWeight: 288.25548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

COC(=O)CC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C14H12N2O5/c1-20-12(17)7-14(13(18)19)6-11(16-21-14)10-4-2-3-9(5-10)8-15/h2-5H,6-7H2,1H3,(H,18,19)