4-[2,3-bis(oxidanyl)propyl]-6-chloranyl-2-propyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2,3-bis(oxidanyl)propyl]-6-chloranyl-2-propyl-1,4-benzoxazin-3-one Openeye Name: 6-chloro-4-(2,3-dihydroxypropyl)-2-propyl-1,4-benzoxazin-3-one CAS Name: 6-chloro-4-(2,3-dihydroxypropyl)-2-propyl-1,4-benzoxazin-3-one IUPAC Name: 6-chloro-4-(2,3-dihydroxypropyl)-2-propyl-1,4-benzoxazin-3-one Traditional Name: 6-chloro-4-glyceryl-2-propyl-1,4-benzoxazin-3-one Formula: C14H18ClNO4 MolecularWeight: 299.75002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(CO)O

Isomeric SMILES

CCCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(CO)O

InChI

InChI=1S/C14H18ClNO4/c1-2-3-13-14(19)16(7-10(18)8-17)11-6-9(15)4-5-12(11)20-13/h4-6,10,13,17-18H,2-3,7-8H2,1H3