bis[(4-nitrophenyl)methyl] 4-carbamimidoyl-7-oxidanylidene-1,4-diazoniabicyclo[2.2.1]heptane-1,3-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] 4-carbamimidoyl-7-oxidanylidene-1,4-diazoniabicyclo[2.2.1]heptane-1,3-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 4-carbamimidoyl-7-oxo-1,4-diazoniabicyclo[2.2.1]heptane-1,3-dicarboxylate CAS Name: 4-carbamimidoyl-7-oxo-1,4-diazoniabicyclo[2.2.1]heptane-1,3-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 4-carbamimidoyl-7-oxo-1,4-diazoniabicyclo[2.2.1]heptane-1,3-dicarboxylate Traditional Name: 4-amidino-7-keto-1,4-diazoniabicyclo[2.2.1]heptane-1,3-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C22H22N6O9+2 MolecularWeight: 514.44488

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(C(C[N+]1(C2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=N)N

Isomeric SMILES

C1C[N+]2(C(C[N+]1(C2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=N)N

InChI

InChI=1S/C22H22N6O9/c23-20(24)28-10-9-27(21(28)30,22(31)37-13-15-3-7-17(8-4-15)26(34)35)11-18(28)19(29)36-12-14-1-5-16(6-2-14)25(32)33/h1-8,18H,9-13H2,(H3,23,24)/q+2