ethyl 3-[6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: ethyl 3-[6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: ethyl 3-[6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[6-[(2S)-2-chloro-1-oxopropyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[6-[(2S)-2-chloropropanoyl]-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]propionic acid ethyl ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2)C(=O)C(C)Cl)OC(C1=O)(C)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2)C(=O)[C@H](C)Cl)OC(C1=O)(C)C

InChI

InChI=1S/C18H22ClNO5/c1-5-24-15(21)8-9-20-13-10-12(16(22)11(2)19)6-7-14(13)25-18(3,4)17(20)23/h6-7,10-11H,5,8-9H2,1-4H3/t11-/m0/s1