6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-4-(3-oxidanylpropyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-4-(3-oxidanylpropyl)-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-chloropropanoyl]-4-(3-hydroxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-chloro-1-oxopropyl]-4-(3-hydroxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-chloropropanoyl]-4-(3-hydroxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-chloropropanoyl]-4-(3-hydroxypropyl)-2,2-dimethyl-1,4-benzoxazin-3-one Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCCO)(C)C)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCCO)(C)C)Cl

InChI

InChI=1S/C16H20ClNO4/c1-10(17)14(20)11-5-6-13-12(9-11)18(7-4-8-19)15(21)16(2,3)22-13/h5-6,9-10,19H,4,7-8H2,1-3H3/t10-/m0/s1