(4-nitrophenyl) 6-azanylhenicosanoate

Systemtic Name: (4-nitrophenyl) 6-azanylhenicosanoate Openeye Name: (4-nitrophenyl) 6-aminohenicosanoate CAS Name: 6-aminoheneicosanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 6-aminohenicosanoate Traditional Name: 6-aminoheneicosanoic acid (4-nitrophenyl) ester Formula: C27H46N2O4 MolecularWeight: 462.66514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C27H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24(28)18-15-16-19-27(30)33-26-22-20-25(21-23-26)29(31)32/h20-24H,2-19,28H2,1H3