[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O5/c22-11-13-23(16-6-2-1-3-7-16)19(25)15-29-21(27)10-12-24-17-8-4-5-9-18(17)28-14-20(24)26/h1-9H,10,12-15H2