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

Systemtic Name: 5-(2-azanyl-2-oxidanylidene-ethyl)-3-(3-cyanophenyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-(2-amino-2-oxo-ethyl)-3-(3-cyanophenyl)-4H-isoxazole-5-carboxylic acid CAS Name: 5-(2-amino-2-oxoethyl)-3-(3-cyanophenyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-(2-amino-2-oxoethyl)-3-(3-cyanophenyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-(2-amino-2-keto-ethyl)-3-(3-cyanophenyl)-2-isoxazoline-5-carboxylic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CC(=O)N)C(=O)O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1C(=NOC1(CC(=O)N)C(=O)O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H11N3O4/c14-7-8-2-1-3-9(4-8)10-5-13(12(18)19,20-16-10)6-11(15)17/h1-4H,5-6H2,(H2,15,17)(H,18,19)