2-[3-[4-(5-methyl-4-nitroso-1-oxidanidyl-2-oxidanyl-pyrazol-1-ium-3-yl)phenoxy]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(5-methyl-4-nitroso-1-oxidanidyl-2-oxidanyl-pyrazol-1-ium-3-yl)phenoxy]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(2-hydroxy-5-methyl-4-nitroso-1-oxido-pyrazol-1-ium-3-yl)phenoxy]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(2-hydroxy-5-methyl-4-nitroso-1-oxido-3-pyrazol-1-iumyl)phenoxy]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(2-hydroxy-5-methyl-4-nitroso-1-oxidopyrazol-1-ium-3-yl)phenoxy]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2-hydroxy-5-methyl-4-nitroso-1-oxido-pyrazol-1-ium-3-yl)phenoxy]propyl]isoindoline-1,3-quinone Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(C(=C1N=O)C2=CC=C(C=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O)O)[O-]

Isomeric SMILES

CC1=[N+](N(C(=C1N=O)C2=CC=C(C=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O)O)[O-]

InChI

InChI=1S/C21H18N4O6/c1-13-18(22-28)19(25(30)24(13)29)14-7-9-15(10-8-14)31-12-4-11-23-20(26)16-5-2-3-6-17(16)21(23)27/h2-3,5-10,30H,4,11-12H2,1H3