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

Systemtic Name: N-butyl-2-[6-[(2S)-2-chloranylpropanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanamide Openeye Name: N-butyl-2-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide CAS Name: N-butyl-2-[6-[(2S)-2-chloro-1-oxopropyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-butyl-2-[6-[(2S)-2-chloropropanoyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide Traditional Name: N-butyl-2-[6-[(2S)-2-chloropropanoyl]-3-keto-1,4-benzoxazin-4-yl]acetamide Formula: C17H21ClN2O4 MolecularWeight: 352.81264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)Cl

Isomeric SMILES

CCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)C(=O)[C@H](C)Cl

InChI

InChI=1S/C17H21ClN2O4/c1-3-4-7-19-15(21)9-20-13-8-12(17(23)11(2)18)5-6-14(13)24-10-16(20)22/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,19,21)/t11-/m0/s1