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

Systemtic Name: [4-bromanyl-2-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-6-(phenylmethyl)phenyl] octanoate Openeye Name: [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] octanoate CAS Name: octanoic 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] octanoate Traditional Name: caprylic acid [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] ester Formula: C28H28BrClN2O5 MolecularWeight: 587.88932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=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

CCCCCCCC(=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/C28H28BrClN2O5/c1-2-3-4-5-9-12-26(33)37-27-20(15-19-10-7-6-8-11-19)16-21(29)17-23(27)28(34)31-25-14-13-22(32(35)36)18-24(25)30/h6-8,10-11,13-14,16-18H,2-5,9,12,15H2,1H3,(H,31,34)