5-nitrospiro[2H-indazol-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium]-3-one chloride

Systemtic Name: 5-nitrospiro[2H-indazol-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium]-3-one chloride Openeye Name: 5-nitrospiro[2H-indazol-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium]-3-one chloride CAS Name: 5-nitro-3-spiro[2H-indazol-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium]one chloride IUPAC Name: 5-nitrospiro[2H-indazol-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium]-3-one chloride Traditional Name: 5-nitrospiro[2H-indazol-1-ium-1,2'-3,4-dihydro-1H-isoquinolin-2-ium]-3-one chloride Formula: C16H14ClN3O3 MolecularWeight: 331.75366

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CC3=CC=CC=C31)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N2.[Cl-]

Isomeric SMILES

C1C[N+]2(CC3=CC=CC=C31)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N2.[Cl-]

InChI

InChI=1S/C16H13N3O3.ClH/c20-16-14-9-13(18(21)22)5-6-15(14)19(17-16)8-7-11-3-1-2-4-12(11)10-19;/h1-6,9H,7-8,10H2;1H