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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO5/c1-4-11(16(21)22-3)18-12-7-10(15(20)9(2)17)5-6-13(12)23-8-14(18)19/h5-7,9,11H,4,8H2,1-3H3/t9-,11-/m0/s1