[2-(3-azanylpropyl)-6-nitro-1-oxidanidyl-indazol-1-ium-3-yl]-(4-chlorophenyl)methanone

Systemtic Name: [2-(3-azanylpropyl)-6-nitro-1-oxidanidyl-indazol-1-ium-3-yl]-(4-chlorophenyl)methanone Openeye Name: [2-(3-aminopropyl)-6-nitro-1-oxido-indazol-1-ium-3-yl]-(4-chlorophenyl)methanone CAS Name: [2-(3-aminopropyl)-6-nitro-1-oxido-3-indazol-1-iumyl]-(4-chlorophenyl)methanone IUPAC Name: [2-(3-aminopropyl)-6-nitro-1-oxidoindazol-1-ium-3-yl]-(4-chlorophenyl)methanone Traditional Name: [2-(3-aminopropyl)-6-nitro-1-oxido-indazol-1-ium-3-yl]-(4-chlorophenyl)methanone Formula: C17H15ClN4O4 MolecularWeight: 374.7784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=C3C=CC(=CC3=[N+](N2CCCN)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=C3C=CC(=CC3=[N+](N2CCCN)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O4/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