hexadecyl 2-[(4-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: hexadecyl 2-[(4-nitrophenyl)carbonylamino]ethanoate Openeye Name: hexadecyl 2-[(4-nitrobenzoyl)amino]acetate CAS Name: 2-[[(4-nitrophenyl)-oxomethyl]amino]acetic acid hexadecyl ester IUPAC Name: hexadecyl 2-[(4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-nitrobenzoyl)amino]acetic acid cetyl ester Formula: C25H40N2O5 MolecularWeight: 448.5955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C25H40N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-32-24(28)21-26-25(29)22-16-18-23(19-17-22)27(30)31/h16-19H,2-15,20-21H2,1H3,(H,26,29)