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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CN1C2=C(C=CC(=C2)C(=O)C(C)Cl)OC(C1=O)(C)C

Isomeric SMILES

CCCOC(=O)CN1C2=C(C=CC(=C2)C(=O)[C@H](C)Cl)OC(C1=O)(C)C

InChI

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