bis[(2,6-dinitrophenyl)methyl] 2-azanyl-2-(5-azanylpentyl)propanedioate

Systemtic Name: bis[(2,6-dinitrophenyl)methyl] 2-azanyl-2-(5-azanylpentyl)propanedioate Openeye Name: bis[(2,6-dinitrophenyl)methyl] 2-amino-2-(5-aminopentyl)propanedioate CAS Name: 2-amino-2-(5-aminopentyl)propanedioic acid bis[(2,6-dinitrophenyl)methyl] ester IUPAC Name: bis[(2,6-dinitrophenyl)methyl] 2-amino-2-(5-aminopentyl)propanedioate Traditional Name: 2-amino-2-(5-aminopentyl)malonic acid bis(2,6-dinitrobenzyl) ester Formula: C22H24N6O12 MolecularWeight: 564.45896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O12/c23-11-3-1-2-10-22(24,20(29)39-12-14-16(25(31)32)6-4-7-17(14)26(33)34)21(30)40-13-15-18(27(35)36)8-5-9-19(15)28(37)38/h4-9H,1-3,10-13,23-24H2