1-(3-nitrophenyl)-3-[3-(1-oxidanidylpyridin-1-ium-4-yl)propyl]-1,8-naphthyridin-2-one

Systemtic Name: 1-(3-nitrophenyl)-3-[3-(1-oxidanidylpyridin-1-ium-4-yl)propyl]-1,8-naphthyridin-2-one Openeye Name: 1-(3-nitrophenyl)-3-[3-(1-oxidopyridin-1-ium-4-yl)propyl]-1,8-naphthyridin-2-one CAS Name: 1-(3-nitrophenyl)-3-[3-(1-oxido-4-pyridin-1-iumyl)propyl]-1,8-naphthyridin-2-one IUPAC Name: 1-(3-nitrophenyl)-3-[3-(1-oxidopyridin-1-ium-4-yl)propyl]-1,8-naphthyridin-2-one Traditional Name: 1-(3-nitrophenyl)-3-[3-(1-oxidopyridin-1-ium-4-yl)propyl]-1,8-naphthyridin-2-one Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C3=C(C=CC=N3)C=C(C2=O)CCCC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C3=C(C=CC=N3)C=C(C2=O)CCCC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C22H18N4O4/c27-22-18(5-1-4-16-9-12-24(28)13-10-16)14-17-6-3-11-23-21(17)25(22)19-7-2-8-20(15-19)26(29)30/h2-3,6-15H,1,4-5H2