2-[4-(2-bromoethyloxy)-3-nitro-phenyl]-N-[3-(3,4-dimethylphenyl)propyl]ethanamide

Systemtic Name: 2-[4-(2-bromoethyloxy)-3-nitro-phenyl]-N-[3-(3,4-dimethylphenyl)propyl]ethanamide Openeye Name: 2-[4-(2-bromoethoxy)-3-nitro-phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide CAS Name: 2-[4-(2-bromoethoxy)-3-nitrophenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide IUPAC Name: 2-[4-(2-bromoethoxy)-3-nitrophenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide Traditional Name: 2-[4-(2-bromoethoxy)-3-nitro-phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCNC(=O)CC2=CC(=C(C=C2)OCCBr)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)CCCNC(=O)CC2=CC(=C(C=C2)OCCBr)[N+](=O)[O-])C

InChI

InChI=1S/C21H25BrN2O4/c1-15-5-6-17(12-16(15)2)4-3-10-23-21(25)14-18-7-8-20(28-11-9-22)19(13-18)24(26)27/h5-8,12-13H,3-4,9-11,14H2,1-2H3,(H,23,25)