3-[3-(4-chlorophenyl)carbonyl-6-nitro-1-oxidanidyl-indazol-1-ium-2-yl]propylazanium chloride

Systemtic Name: 3-[3-(4-chlorophenyl)carbonyl-6-nitro-1-oxidanidyl-indazol-1-ium-2-yl]propylazanium chloride Openeye Name: 3-[3-(4-chlorobenzoyl)-6-nitro-1-oxido-indazol-1-ium-2-yl]propylammonium chloride CAS Name: 3-[3-[(4-chlorophenyl)-oxomethyl]-6-nitro-1-oxido-2-indazol-1-iumyl]propylammonium chloride IUPAC Name: 3-[3-(4-chlorobenzoyl)-6-nitro-1-oxidoindazol-1-ium-2-yl]propylazanium chloride Traditional Name: 3-[3-(4-chlorobenzoyl)-6-nitro-1-oxido-indazol-1-ium-2-yl]propylammonium chloride Formula: C17H16Cl2N4O4 MolecularWeight: 411.23934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C3C=CC(=CC3=[N+](N2CCC[NH3+])[O-])[N+](=O)[O-])Cl.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C3C=CC(=CC3=[N+](N2CCC[NH3+])[O-])[N+](=O)[O-])Cl.[Cl-]

InChI

InChI=1S/C17H15ClN4O4.ClH/c18-12-4-2-11(3-5-12)17(23)16-14-7-6-13(22(25)26)10-15(14)21(24)20(16)9-1-8-19;/h2-7,10H,1,8-9,19H2;1H