(4-nitrophenyl)methyl 2,5,9-tris(azanyl)nonanoate

Systemtic Name: (4-nitrophenyl)methyl 2,5,9-tris(azanyl)nonanoate Openeye Name: (4-nitrophenyl)methyl 2,5,9-triaminononanoate CAS Name: 2,5,9-triaminononanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2,5,9-triaminononanoate Traditional Name: 2,5,9-triaminopelargonic acid (4-nitrobenzyl) ester Formula: C16H26N4O4 MolecularWeight: 338.40204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C(CCC(CCCCN)N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C(CCC(CCCCN)N)N)[N+](=O)[O-]

InChI

InChI=1S/C16H26N4O4/c17-10-2-1-3-13(18)6-9-15(19)16(21)24-11-12-4-7-14(8-5-12)20(22)23/h4-5,7-8,13,15H,1-3,6,9-11,17-19H2