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

Systemtic Name: (2S)-2-[6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: (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]butanoate IUPAC Name: (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]butyrate Formula: C15H15ClNO5- MolecularWeight: 324.7363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO5/c1-3-10(15(20)21)17-11-6-9(14(19)8(2)16)4-5-12(11)22-7-13(17)18/h4-6,8,10H,3,7H2,1-2H3,(H,20,21)/p-1/t8-,10-/m0/s1