4-[3-[methyl-(1-oxidanidylpyridin-1-ium-2-yl)amino]propyl]-7-nitro-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-[methyl-(1-oxidanidylpyridin-1-ium-2-yl)amino]propyl]-7-nitro-1,4-benzoxazin-3-one Openeye Name: 4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-7-nitro-1,4-benzoxazin-3-one CAS Name: 4-[3-[methyl-(1-oxido-2-pyridin-1-iumyl)amino]propyl]-7-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-7-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-7-nitro-1,4-benzoxazin-3-one Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1C(=O)COC2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CN(CCCN1C(=O)COC2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H18N4O5/c1-18(16-5-2-3-10-20(16)23)8-4-9-19-14-7-6-13(21(24)25)11-15(14)26-12-17(19)22/h2-3,5-7,10-11H,4,8-9,12H2,1H3