[4-bromanyl-2-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-6-(phenylmethyl)phenyl] hexadecanoate

Systemtic Name: [4-bromanyl-2-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-6-(phenylmethyl)phenyl] hexadecanoate Openeye Name: [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] hexadecanoate CAS Name: hexadecanoic acid [4-bromo-2-[(2-chloro-4-nitroanilino)-oxomethyl]-6-(phenylmethyl)phenyl] ester IUPAC Name: [2-benzyl-4-bromo-6-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] hexadecanoate Traditional Name: palmitic acid [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] ester Formula: C36H44BrClN2O5 MolecularWeight: 700.10196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br)CC3=CC=CC=C3

InChI

InChI=1S/C36H44BrClN2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-34(41)45-35-28(23-27-18-15-14-16-19-27)24-29(37)25-31(35)36(42)39-33-22-21-30(40(43)44)26-32(33)38/h14-16,18-19,21-22,24-26H,2-13,17,20,23H2,1H3,(H,39,42)