ethyl 2-[[7-[(4-cyanophenyl)carbonylamino]-4-ethyl-3-oxidanylidene-1,4-benzoxazin-2-yl]oxy]ethanoate

Systemtic Name: ethyl 2-[[7-[(4-cyanophenyl)carbonylamino]-4-ethyl-3-oxidanylidene-1,4-benzoxazin-2-yl]oxy]ethanoate Openeye Name: ethyl 2-[[7-[(4-cyanobenzoyl)amino]-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]oxy]acetate CAS Name: 2-[[7-[[(4-cyanophenyl)-oxomethyl]amino]-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[[7-[(4-cyanobenzoyl)amino]-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]oxy]acetate Traditional Name: 2-[[7-[(4-cyanobenzoyl)amino]-4-ethyl-3-keto-1,4-benzoxazin-2-yl]oxy]acetic acid ethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)OC(C1=O)OCC(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N)OC(C1=O)OCC(=O)OCC

InChI

InChI=1S/C22H21N3O6/c1-3-25-17-10-9-16(24-20(27)15-7-5-14(12-23)6-8-15)11-18(17)31-22(21(25)28)30-13-19(26)29-4-2/h5-11,22H,3-4,13H2,1-2H3,(H,24,27)