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

Systemtic Name: [4-bromanyl-2-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-6-(phenylmethyl)phenyl] undecanoate Openeye Name: [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] undecanoate CAS Name: undecanoic 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] undecanoate Traditional Name: undecanoic acid [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] ester Formula: C31H34BrClN2O5 MolecularWeight: 629.96906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=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

CCCCCCCCCCC(=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/C31H34BrClN2O5/c1-2-3-4-5-6-7-8-12-15-29(36)40-30-23(18-22-13-10-9-11-14-22)19-24(32)20-26(30)31(37)34-28-17-16-25(35(38)39)21-27(28)33/h9-11,13-14,16-17,19-21H,2-8,12,15,18H2,1H3,(H,34,37)