5,7-dinitro-3-oxidanidyl-4-[1-(phenylmethyl)indol-3-yl]-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 5,7-dinitro-3-oxidanidyl-4-[1-(phenylmethyl)indol-3-yl]-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(1-benzylindol-3-yl)-5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 5,7-dinitro-3-oxido-4-[1-(phenylmethyl)-3-indolyl]-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(1-benzylindol-3-yl)-5,7-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-(1-benzylindol-3-yl)-4,6-dinitro-1-oxido-benzofurazan-1-ium Formula: C21H13N5O6 MolecularWeight: 431.35782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C4=C(C=C(C5=NO[N+](=C45)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C4=C(C=C(C5=NO[N+](=C45)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O6/c27-24(28)17-10-18(25(29)30)20-21(26(31)32-22-20)19(17)15-12-23(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-10,12H,11H2