(5-chloranyl-2-nitro-phenyl)methyl N-dodecylcarbamate

Systemtic Name: (5-chloranyl-2-nitro-phenyl)methyl N-dodecylcarbamate Openeye Name: (5-chloro-2-nitro-phenyl)methyl N-dodecylcarbamate CAS Name: N-dodecylcarbamic acid (5-chloro-2-nitrophenyl)methyl ester IUPAC Name: (5-chloro-2-nitrophenyl)methyl N-dodecylcarbamate Traditional Name: N-laurylcarbamic acid (5-chloro-2-nitro-benzyl) ester Formula: C20H31ClN2O4 MolecularWeight: 398.92414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)OCC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCNC(=O)OCC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H31ClN2O4/c1-2-3-4-5-6-7-8-9-10-11-14-22-20(24)27-16-17-15-18(21)12-13-19(17)23(25)26/h12-13,15H,2-11,14,16H2,1H3,(H,22,24)