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

Systemtic Name: 4-[3-(methylamino)-2-oxidanyl-propyl]-6-nitro-1,4-benzoxazin-3-one Openeye Name: 4-[2-hydroxy-3-(methylamino)propyl]-6-nitro-1,4-benzoxazin-3-one CAS Name: 4-[2-hydroxy-3-(methylamino)propyl]-6-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-[2-hydroxy-3-(methylamino)propyl]-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[2-hydroxy-3-(methylamino)propyl]-6-nitro-1,4-benzoxazin-3-one Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CNCC(CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H15N3O5/c1-13-5-9(16)6-14-10-4-8(15(18)19)2-3-11(10)20-7-12(14)17/h2-4,9,13,16H,5-7H2,1H3