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

Systemtic Name: [4-bromanyl-2-[(2-chloranyl-4-nitro-phenyl)carbamoyl]-6-(phenylmethyl)phenyl] decanoate Openeye Name: [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] decanoate CAS Name: decanoic 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] decanoate Traditional Name: capric acid [2-benzyl-4-bromo-6-[(2-chloro-4-nitro-phenyl)carbamoyl]phenyl] ester Formula: C30H32BrClN2O5 MolecularWeight: 615.94248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=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

CCCCCCCCCC(=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/C30H32BrClN2O5/c1-2-3-4-5-6-7-11-14-28(35)39-29-22(17-21-12-9-8-10-13-21)18-23(31)19-25(29)30(36)33-27-16-15-24(34(37)38)20-26(27)32/h8-10,12-13,15-16,18-20H,2-7,11,14,17H2,1H3,(H,33,36)