2-[(2S)-6-(2-chloranylethanoyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]-N-propyl-ethanamide

Systemtic Name: 2-[(2S)-6-(2-chloranylethanoyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]-N-propyl-ethanamide Openeye Name: 2-[(2S)-6-(2-chloroacetyl)-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]-N-propyl-acetamide CAS Name: 2-[(2S)-6-(2-chloro-1-oxoethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]-N-propylacetamide IUPAC Name: 2-[(2S)-6-(2-chloroacetyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]-N-propylacetamide Traditional Name: 2-[(2S)-6-(2-chloroacetyl)-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]-N-propyl-acetamide Formula: C18H23ClN2O4 MolecularWeight: 366.83922

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)C(C)C

Isomeric SMILES

CCCNC(=O)CN1C2=C(C=CC(=C2)C(=O)CCl)O[C@H](C1=O)C(C)C

InChI

InChI=1S/C18H23ClN2O4/c1-4-7-20-16(23)10-21-13-8-12(14(22)9-19)5-6-15(13)25-17(11(2)3)18(21)24/h5-6,8,11,17H,4,7,9-10H2,1-3H3,(H,20,23)/t17-/m0/s1