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

Systemtic Name: ethyl 3-[6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: ethyl 3-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-1,4-benzoxazin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[6-[(2S)-2-chloropropanoyl]-3-keto-1,4-benzoxazin-4-yl]propionic acid ethyl ester Formula: C16H18ClNO5 MolecularWeight: 339.77082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)Cl

Isomeric SMILES

CCOC(=O)CCN1C(=O)COC2=C1C=C(C=C2)C(=O)[C@H](C)Cl

InChI

InChI=1S/C16H18ClNO5/c1-3-22-15(20)6-7-18-12-8-11(16(21)10(2)17)4-5-13(12)23-9-14(18)19/h4-5,8,10H,3,6-7,9H2,1-2H3/t10-/m0/s1