1-(4-methyl-2-nitro-phenyl)ethyl N-octadecanoylcarbamate

Systemtic Name: 1-(4-methyl-2-nitro-phenyl)ethyl N-octadecanoylcarbamate Openeye Name: 1-(4-methyl-2-nitro-phenyl)ethyl N-octadecanoylcarbamate CAS Name: N-(1-oxooctadecyl)carbamic acid 1-(4-methyl-2-nitrophenyl)ethyl ester IUPAC Name: 1-(4-methyl-2-nitrophenyl)ethyl N-octadecanoylcarbamate Traditional Name: N-stearoylcarbamic acid 1-(4-methyl-2-nitro-phenyl)ethyl ester Formula: C28H46N2O5 MolecularWeight: 490.67524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(=O)OC(C)C1=C(C=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(=O)OC(C)C1=C(C=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C28H46N2O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(31)29-28(32)35-24(3)25-21-20-23(2)22-26(25)30(33)34/h20-22,24H,4-19H2,1-3H3,(H,29,31,32)