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

Systemtic Name: propyl (2S)-2-[6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: propyl (2S)-2-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid propyl ester IUPAC Name: propyl (2S)-2-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[6-[(2S)-2-chloropropanoyl]-3-keto-1,4-benzoxazin-4-yl]propionic acid propyl ester Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)N1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)Cl

Isomeric SMILES

CCCOC(=O)[C@H](C)N1C(=O)COC2=C1C=C(C=C2)C(=O)[C@H](C)Cl

InChI

InChI=1S/C17H20ClNO5/c1-4-7-23-17(22)11(3)19-13-8-12(16(21)10(2)18)5-6-14(13)24-9-15(19)20/h5-6,8,10-11H,4,7,9H2,1-3H3/t10-,11-/m0/s1