1-(2-nitrophenyl)ethyl N-octadecylcarbamate

Systemtic Name: 1-(2-nitrophenyl)ethyl N-octadecylcarbamate Openeye Name: 1-(2-nitrophenyl)ethyl N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid 1-(2-nitrophenyl)ethyl ester IUPAC Name: 1-(2-nitrophenyl)ethyl N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid 1-(2-nitrophenyl)ethyl ester Formula: C27H46N2O4 MolecularWeight: 462.66514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC(C)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC(C)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C27H46N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-27(30)33-24(2)25-21-18-19-22-26(25)29(31)32/h18-19,21-22,24H,3-17,20,23H2,1-2H3,(H,28,30)