[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(1,2-benzoxazol-3-yl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate Traditional Name: 2-indoxazen-3-ylacetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CC2=NOC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CC2=NOC3=CC=CC=C32

InChI

InChI=1S/C20H17N3O4/c21-11-6-12-23(15-7-2-1-3-8-15)19(24)14-26-20(25)13-17-16-9-4-5-10-18(16)27-22-17/h1-5,7-10H,6,12-14H2