ethyl (1S,5S)-3,6-bis(4-nitrophenyl)-1,5-diphenyl-2,6-diaza-3-azonia-4-azanidabicyclo[3.3.0]octa-2,7-diene-8-carboxylate

Systemtic Name: ethyl (1S,5S)-3,6-bis(4-nitrophenyl)-1,5-diphenyl-2,6-diaza-3-azonia-4-azanidabicyclo[3.3.0]octa-2,7-diene-8-carboxylate Openeye Name: ethyl (1S,5S)-3,6-bis(4-nitrophenyl)-1,5-diphenyl-2,6-diaza-3-azonia-4-azanidabicyclo[3.3.0]octa-2,7-diene-8-carboxylate CAS Name: (1S,5S)-3,6-bis(4-nitrophenyl)-1,5-diphenyl-2,6-diaza-3-azonia-4-azanidabicyclo[3.3.0]octa-2,7-diene-8-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,5S)-3,6-bis(4-nitrophenyl)-1,5-diphenyl-2,6-diaza-3-azonia-4-azanidabicyclo[3.3.0]octa-2,7-diene-8-carboxylate Traditional Name: (1S,5S)-3,6-bis(4-nitrophenyl)-1,5-diphenyl-2,6-diaza-3-azonia-4-azanidabicyclo[3.3.0]octa-2,7-diene-8-carboxylic acid ethyl ester Formula: C31H24N6O6 MolecularWeight: 576.55886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2(C1(N=[N+]([N-]2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN([C@@]2([C@]1(N=[N+]([N-]2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H24N6O6/c1-2-43-29(38)28-21-34(24-13-17-26(18-14-24)36(39)40)31(23-11-7-4-8-12-23)30(28,22-9-5-3-6-10-22)32-35(33-31)25-15-19-27(20-16-25)37(41)42/h3-21H,2H2,1H3/t30-,31+/m0/s1