N-[1-(3,5-dimethylphenyl)indazol-4-yl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: N-[1-(3,5-dimethylphenyl)indazol-4-yl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: N-[1-(3,5-dimethylphenyl)indazol-4-yl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-[1-(3,5-dimethylphenyl)-4-indazolyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: N-[1-(3,5-dimethylphenyl)indazol-4-yl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: N-[1-(3,5-dimethylphenyl)indazol-4-yl]-1-oxido-benzofurazan-1-ium-5-carboxamide Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=CC=C3)NC(=O)C4=CC5=NO[N+](=C5C=C4)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=CC=C3)NC(=O)C4=CC5=NO[N+](=C5C=C4)[O-])C

InChI

InChI=1S/C22H17N5O3/c1-13-8-14(2)10-16(9-13)26-20-5-3-4-18(17(20)12-23-26)24-22(28)15-6-7-21-19(11-15)25-30-27(21)29/h3-12H,1-2H3,(H,24,28)