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

Systemtic Name: methyl (2S)-2-[6-(2-chloranylethanoyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: methyl (2S)-2-[6-(2-chloroacetyl)-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[6-(2-chloro-1-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[6-(2-chloroacetyl)-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[6-(2-chloroacetyl)-3-keto-1,4-benzoxazin-4-yl]butyric acid methyl ester Formula: C15H16ClNO5 MolecularWeight: 325.74424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N1C(=O)COC2=C1C=C(C=C2)C(=O)CCl

Isomeric SMILES

CC[C@@H](C(=O)OC)N1C(=O)COC2=C1C=C(C=C2)C(=O)CCl

InChI

InChI=1S/C15H16ClNO5/c1-3-10(15(20)21-2)17-11-6-9(12(18)7-16)4-5-13(11)22-8-14(17)19/h4-6,10H,3,7-8H2,1-2H3/t10-/m0/s1