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

Systemtic Name: [4-bromanyl-2-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-6-(phenylmethyl)phenyl] octadecanoate Openeye Name: [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] octadecanoate CAS Name: octadecanoic 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] octadecanoate Traditional Name: stearic acid [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] ester Formula: C38H48BrClN2O5 MolecularWeight: 728.15512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=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

CCCCCCCCCCCCCCCCCC(=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/C38H48BrClN2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-36(43)47-37-30(25-29-20-17-16-18-21-29)26-31(39)27-33(37)38(44)41-35-24-23-32(42(45)46)28-34(35)40/h16-18,20-21,23-24,26-28H,2-15,19,22,25H2,1H3,(H,41,44)