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

Systemtic Name: 4-[2,3-bis(oxidanyl)propyl]-2-methyl-6-nitro-1,4-benzoxazin-3-one Openeye Name: 4-(2,3-dihydroxypropyl)-2-methyl-6-nitro-1,4-benzoxazin-3-one CAS Name: 4-(2,3-dihydroxypropyl)-2-methyl-6-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-(2,3-dihydroxypropyl)-2-methyl-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-glyceryl-2-methyl-6-nitro-1,4-benzoxazin-3-one Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(CO)O

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(CO)O

InChI

InChI=1S/C12H14N2O6/c1-7-12(17)13(5-9(16)6-15)10-4-8(14(18)19)2-3-11(10)20-7/h2-4,7,9,15-16H,5-6H2,1H3