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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)CCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)CCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C15H15N3O4/c16-8-3-9-17-13(19)10-21-15(20)7-6-14-18-11-4-1-2-5-12(11)22-14/h1-2,4-5H,3,6-7,9-10H2,(H,17,19)