1-(3-nitrophenyl)-1-oxidanidyl-4-oxidanyl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-1-ium-2-one

Systemtic Name: 1-(3-nitrophenyl)-1-oxidanidyl-4-oxidanyl-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-1-ium-2-one Openeye Name: 4-hydroxy-1-(3-nitrophenyl)-1-oxido-3-[3-(4-pyridyl)propyl]-1,8-naphthyridin-1-ium-2-one CAS Name: 4-hydroxy-1-(3-nitrophenyl)-1-oxido-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-1-ium-2-one IUPAC Name: 4-hydroxy-1-(3-nitrophenyl)-1-oxido-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-1-ium-2-one Traditional Name: 4-hydroxy-1-(3-nitrophenyl)-1-oxido-3-[3-(4-pyridyl)propyl]-1,8-naphthyridin-1-ium-2-one Formula: C22H18N4O5 MolecularWeight: 418.40212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+]2(C3=C(C=CC=N3)C(=C(C2=O)CCCC4=CC=NC=C4)O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+]2(C3=C(C=CC=N3)C(=C(C2=O)CCCC4=CC=NC=C4)O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5/c27-20-18-8-3-11-24-21(18)26(31,17-6-2-5-16(14-17)25(29)30)22(28)19(20)7-1-4-15-9-12-23-13-10-15/h2-3,5-6,8-14,27H,1,4,7H2