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

Systemtic Name: 6-[(2S)-2-chloranylpropanoyl]-4-(3-oxidanylpropyl)-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-chloropropanoyl]-4-(3-hydroxypropyl)-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-chloro-1-oxopropyl]-4-(3-hydroxypropyl)-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-chloropropanoyl]-4-(3-hydroxypropyl)-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-chloropropanoyl]-4-(3-hydroxypropyl)-1,4-benzoxazin-3-one Formula: C14H16ClNO4 MolecularWeight: 297.73414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClNO4/c1-9(15)14(19)10-3-4-12-11(7-10)16(5-2-6-17)13(18)8-20-12/h3-4,7,9,17H,2,5-6,8H2,1H3/t9-/m0/s1