1-(4,5-dimethyl-2-nitro-phenyl)ethyl N-octadecanoylcarbamate

Systemtic Name: 1-(4,5-dimethyl-2-nitro-phenyl)ethyl N-octadecanoylcarbamate Openeye Name: 1-(4,5-dimethyl-2-nitro-phenyl)ethyl N-octadecanoylcarbamate CAS Name: N-(1-oxooctadecyl)carbamic acid 1-(4,5-dimethyl-2-nitrophenyl)ethyl ester IUPAC Name: 1-(4,5-dimethyl-2-nitrophenyl)ethyl N-octadecanoylcarbamate Traditional Name: N-stearoylcarbamic acid 1-(4,5-dimethyl-2-nitro-phenyl)ethyl ester Formula: C29H48N2O5 MolecularWeight: 504.70182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H48N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(32)30-29(33)36-25(4)26-21-23(2)24(3)22-27(26)31(34)35/h21-22,25H,5-20H2,1-4H3,(H,30,32,33)