[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(1,2-benzoxazol-3-yl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate Traditional Name: 2-indoxazen-3-ylacetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H13N3O4 MolecularWeight: 287.27072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H13N3O4/c15-6-3-7-16-13(18)9-20-14(19)8-11-10-4-1-2-5-12(10)21-17-11/h1-2,4-5H,3,7-9H2,(H,16,18)