(4-nitrophenyl) 5-(2-azanylpropan-2-yl)heptadecanoate

Systemtic Name: (4-nitrophenyl) 5-(2-azanylpropan-2-yl)heptadecanoate Openeye Name: (4-nitrophenyl) 5-(1-amino-1-methyl-ethyl)heptadecanoate CAS Name: 5-(2-aminopropan-2-yl)heptadecanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-(2-aminopropan-2-yl)heptadecanoate Traditional Name: 5-(1-amino-1-methyl-ethyl)heptadecanoic acid (4-nitrophenyl) ester Formula: C26H44N2O4 MolecularWeight: 448.63856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C(C)(C)N

Isomeric SMILES

CCCCCCCCCCCCC(CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C(C)(C)N

InChI

InChI=1S/C26H44N2O4/c1-4-5-6-7-8-9-10-11-12-13-15-22(26(2,3)27)16-14-17-25(29)32-24-20-18-23(19-21-24)28(30)31/h18-22H,4-17,27H2,1-3H3