(E)-ethylidene-(4-nitrophenyl)-[(1R,8R)-10-(4-nitrophenyl)-8-oxidanyl-9-aza-10-azonia-11-azanidabicyclo[6.3.0]undec-9-en-1-yl]azanium ethanoate

Systemtic Name: (E)-ethylidene-(4-nitrophenyl)-[(1R,8R)-10-(4-nitrophenyl)-8-oxidanyl-9-aza-10-azonia-11-azanidabicyclo[6.3.0]undec-9-en-1-yl]azanium ethanoate Openeye Name: (E)-ethylidene-[(1R,8R)-8-hydroxy-10-(4-nitrophenyl)-9-aza-10-azonia-11-azanidabicyclo[6.3.0]undec-9-en-1-yl]-(4-nitrophenyl)ammonium acetate CAS Name: (E)-ethylidene-[(1R,8R)-8-hydroxy-10-(4-nitrophenyl)-9-aza-10-azonia-11-azanidabicyclo[6.3.0]undec-9-en-1-yl]-(4-nitrophenyl)ammonium acetate IUPAC Name: (E)-ethylidene-[(1R,8R)-8-hydroxy-10-(4-nitrophenyl)-9-aza-10-azonia-11-azanidabicyclo[6.3.0]undec-9-en-1-yl]-(4-nitrophenyl)azanium acetate Traditional Name: (E)-ethylidene-[(1R,8R)-8-hydroxy-10-(4-nitrophenyl)-9-aza-10-azonia-11-azanidabicyclo[6.3.0]undec-9-en-1-yl]-(4-nitrophenyl)ammonium acetate Formula: C24H28N6O7 MolecularWeight: 512.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC=[N+](C1=CC=C(C=C1)[N+](=O)[O-])C23CCCCCCC2(N=[N+]([N-]3)C4=CC=C(C=C4)[N+](=O)[O-])O.CC(=O)[O-]

Isomeric SMILES

C/C=[N+](\C1=CC=C(C=C1)[N+](=O)[O-])/[C@@]23CCCCCC[C@@]2(N=[N+]([N-]3)C4=CC=C(C=C4)[N+](=O)[O-])O.CC(=O)[O-]

InChI

InChI=1S/C22H25N6O5.C2H4O2/c1-2-25(17-7-11-19(12-8-17)27(30)31)21-15-5-3-4-6-16-22(21,29)24-26(23-21)18-9-13-20(14-10-18)28(32)33;1-2(3)4/h2,7-14,29H,3-6,15-16H2,1H3;1H3,(H,3,4)/q+1;/p-1/b25-2+;/t21-,22+;/m0./s1