bis[(2-nitrophenyl)methyl] 2-azanyl-2-(5-azanylpentyl)propanedioate

Systemtic Name: bis[(2-nitrophenyl)methyl] 2-azanyl-2-(5-azanylpentyl)propanedioate Openeye Name: bis[(2-nitrophenyl)methyl] 2-amino-2-(5-aminopentyl)propanedioate CAS Name: 2-amino-2-(5-aminopentyl)propanedioic acid bis[(2-nitrophenyl)methyl] ester IUPAC Name: bis[(2-nitrophenyl)methyl] 2-amino-2-(5-aminopentyl)propanedioate Traditional Name: 2-amino-2-(5-aminopentyl)malonic acid bis(2-nitrobenzyl) ester Formula: C22H26N4O8 MolecularWeight: 474.46384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C(CCCCCN)(C(=O)OCC2=CC=CC=C2[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C(CCCCCN)(C(=O)OCC2=CC=CC=C2[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O8/c23-13-7-1-6-12-22(24,20(27)33-14-16-8-2-4-10-18(16)25(29)30)21(28)34-15-17-9-3-5-11-19(17)26(31)32/h2-5,8-11H,1,6-7,12-15,23-24H2