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

Systemtic Name: N-[1-(4-tert-butylphenyl)indazol-4-yl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: N-[1-(4-tert-butylphenyl)indazol-4-yl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-[1-(4-tert-butylphenyl)-4-indazolyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: N-[1-(4-tert-butylphenyl)indazol-4-yl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: N-[1-(4-tert-butylphenyl)indazol-4-yl]-1-oxido-benzofurazan-1-ium-5-carboxamide Formula: C24H21N5O3 MolecularWeight: 427.45524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O3/c1-24(2,3)16-8-10-17(11-9-16)28-21-6-4-5-19(18(21)14-25-28)26-23(30)15-7-12-22-20(13-15)27-32-29(22)31/h4-14H,1-3H3,(H,26,30)