bis[(2-nitrophenyl)methyl] (E)-2-azanyl-3-(4-azanylbutyl)but-2-enedioate

Systemtic Name: bis[(2-nitrophenyl)methyl] (E)-2-azanyl-3-(4-azanylbutyl)but-2-enedioate Openeye Name: bis[(2-nitrophenyl)methyl] (E)-2-amino-3-(4-aminobutyl)but-2-enedioate CAS Name: (E)-2-amino-3-(4-aminobutyl)-2-butenedioic acid bis[(2-nitrophenyl)methyl] ester IUPAC Name: bis[(2-nitrophenyl)methyl] (E)-2-amino-3-(4-aminobutyl)but-2-enedioate Traditional Name: (E)-2-amino-3-(4-aminobutyl)but-2-enedioic acid bis(2-nitrobenzyl) ester Formula: C22H24N4O8 MolecularWeight: 472.44796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)/C(=C(\C(=O)OCC2=CC=CC=C2[N+](=O)[O-])/N)/CCCCN)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O8/c23-12-6-5-9-17(21(27)33-13-15-7-1-3-10-18(15)25(29)30)20(24)22(28)34-14-16-8-2-4-11-19(16)26(31)32/h1-4,7-8,10-11H,5-6,9,12-14,23-24H2/b20-17+