4-[[3-[4-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]methyl]benzamide

Systemtic Name: 4-[[3-[4-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]methyl]benzamide Openeye Name: 4-[[3-(4-amino-3,5-dichloro-benzoyl)-1-oxido-indazol-1-ium-2-yl]methyl]benzamide CAS Name: 4-[[3-[(4-amino-3,5-dichlorophenyl)-oxomethyl]-1-oxido-2-indazol-1-iumyl]methyl]benzamide IUPAC Name: 4-[[3-(4-amino-3,5-dichlorobenzoyl)-1-oxidoindazol-1-ium-2-yl]methyl]benzamide Traditional Name: 4-[[3-(4-amino-3,5-dichloro-benzoyl)-1-oxido-indazol-1-ium-2-yl]methyl]benzamide Formula: C22H16Cl2N4O3 MolecularWeight: 455.29344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N([N+](=C2C=C1)[O-])CC3=CC=C(C=C3)C(=O)N)C(=O)C4=CC(=C(C(=C4)Cl)N)Cl

Isomeric SMILES

C1=CC2=C(N([N+](=C2C=C1)[O-])CC3=CC=C(C=C3)C(=O)N)C(=O)C4=CC(=C(C(=C4)Cl)N)Cl

InChI

InChI=1S/C22H16Cl2N4O3/c23-16-9-14(10-17(24)19(16)25)21(29)20-15-3-1-2-4-18(15)28(31)27(20)11-12-5-7-13(8-6-12)22(26)30/h1-10H,11,25H2,(H2,26,30)