(2-nitrophenyl)methyl N-(6-azanylhexyl)-N-[(2-nitrophenyl)methoxycarbonyl]carbamate

Systemtic Name: (2-nitrophenyl)methyl N-(6-azanylhexyl)-N-[(2-nitrophenyl)methoxycarbonyl]carbamate Openeye Name: (2-nitrophenyl)methyl N-(6-aminohexyl)-N-[(2-nitrophenyl)methoxycarbonyl]carbamate CAS Name: N-(6-aminohexyl)-N-[(2-nitrophenyl)methoxy-oxomethyl]carbamic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl N-(6-aminohexyl)-N-[(2-nitrophenyl)methoxycarbonyl]carbamate Traditional Name: N-(6-aminohexyl)-N-(2-nitrobenzyl)oxycarbonyl-carbamic acid (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)N(CCCCCCN)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O8/c23-13-7-1-2-8-14-24(21(27)33-15-17-9-3-5-11-19(17)25(29)30)22(28)34-16-18-10-4-6-12-20(18)26(31)32/h3-6,9-12H,1-2,7-8,13-16,23H2