methyl 9-[(4-nitrophenyl)carbonylamino]octadecanoate

Systemtic Name: methyl 9-[(4-nitrophenyl)carbonylamino]octadecanoate Openeye Name: methyl 9-[(4-nitrobenzoyl)amino]octadecanoate CAS Name: 9-[[(4-nitrophenyl)-oxomethyl]amino]octadecanoic acid methyl ester IUPAC Name: methyl 9-[(4-nitrobenzoyl)amino]octadecanoate Traditional Name: 9-[(4-nitrobenzoyl)amino]stearic acid methyl ester Formula: C26H42N2O5 MolecularWeight: 462.62208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OC)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OC)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C26H42N2O5/c1-3-4-5-6-7-9-12-15-23(16-13-10-8-11-14-17-25(29)33-2)27-26(30)22-18-20-24(21-19-22)28(31)32/h18-21,23H,3-17H2,1-2H3,(H,27,30)