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

Systemtic Name: ethyl 3-[(2S)-6-(2-chloranylethanoyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: ethyl 3-[(2S)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2S)-6-(2-chloro-1-oxoethyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2S)-6-(2-chloroacetyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2S)-6-(2-chloroacetyl)-3-keto-2-methyl-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)CCN1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)C

Isomeric SMILES

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

InChI

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