methyl 2-[[4-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoyl]amino]acetate CAS Name: 2-[[oxo-[4-[[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]amino]phenyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]benzoyl]amino]acetate Traditional Name: 2-[[4-[3-(3-keto-1,4-benzoxazin-4-yl)propanoylamino]benzoyl]amino]acetic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

COC(=O)CNC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C21H21N3O6/c1-29-20(27)12-22-21(28)14-6-8-15(9-7-14)23-18(25)10-11-24-16-4-2-3-5-17(16)30-13-19(24)26/h2-9H,10-13H2,1H3,(H,22,28)(H,23,25)