6-azanyl-4-[2,3-bis(oxidanyl)propyl]-8-chloranyl-2-methyl-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 6-azanyl-4-[2,3-bis(oxidanyl)propyl]-8-chloranyl-2-methyl-1,4-benzoxazin-3-one hydrochloride Openeye Name: 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one hydrochloride CAS Name: 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 6-amino-8-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-amino-8-chloro-4-glyceryl-2-methyl-1,4-benzoxazin-3-one hydrochloride Formula: C12H16Cl2N2O4 MolecularWeight: 323.17244

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC(=CC(=C2O1)Cl)N)CC(CO)O.Cl

Isomeric SMILES

CC1C(=O)N(C2=CC(=CC(=C2O1)Cl)N)CC(CO)O.Cl

InChI

InChI=1S/C12H15ClN2O4.ClH/c1-6-12(18)15(4-8(17)5-16)10-3-7(14)2-9(13)11(10)19-6;/h2-3,6,8,16-17H,4-5,14H2,1H3;1H