bis[(2-nitrophenyl)methyl] 1-azanylcyclohexane-1,2-dicarboxylate

Systemtic Name: bis[(2-nitrophenyl)methyl] 1-azanylcyclohexane-1,2-dicarboxylate Openeye Name: bis[(2-nitrophenyl)methyl] 1-aminocyclohexane-1,2-dicarboxylate CAS Name: 1-aminocyclohexane-1,2-dicarboxylic acid bis[(2-nitrophenyl)methyl] ester IUPAC Name: bis[(2-nitrophenyl)methyl] 1-aminocyclohexane-1,2-dicarboxylate Traditional Name: 1-aminocyclohexane-1,2-dicarboxylic acid bis(2-nitrobenzyl) ester Formula: C22H23N3O8 MolecularWeight: 457.43332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])(C(=O)OCC3=CC=CC=C3[N+](=O)[O-])N

Isomeric SMILES

C1CCC(C(C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])(C(=O)OCC3=CC=CC=C3[N+](=O)[O-])N

InChI

InChI=1S/C22H23N3O8/c23-22(21(27)33-14-16-8-2-4-11-19(16)25(30)31)12-6-5-9-17(22)20(26)32-13-15-7-1-3-10-18(15)24(28)29/h1-4,7-8,10-11,17H,5-6,9,12-14,23H2