1-bromanyl-1-[4-[[2-(ethylamino)phenyl]methyl]-2-nitro-phenoxy]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-bromanyl-1-[4-[[2-(ethylamino)phenyl]methyl]-2-nitro-phenoxy]-3,3-dimethyl-butan-2-one Openeye Name: 1-bromo-1-[4-[[2-(ethylamino)phenyl]methyl]-2-nitro-phenoxy]-3,3-dimethyl-butan-2-one CAS Name: 1-bromo-1-[4-[[2-(ethylamino)phenyl]methyl]-2-nitrophenoxy]-3,3-dimethyl-2-butanone IUPAC Name: 1-bromo-1-[4-[[2-(ethylamino)phenyl]methyl]-2-nitrophenoxy]-3,3-dimethylbutan-2-one Traditional Name: 1-bromo-1-[4-[2-(ethylamino)benzyl]-2-nitro-phenoxy]-3,3-dimethyl-butan-2-one Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=CC=C1CC2=CC(=C(C=C2)OC(C(=O)C(C)(C)C)Br)[N+](=O)[O-]

Isomeric SMILES

CCNC1=CC=CC=C1CC2=CC(=C(C=C2)OC(C(=O)C(C)(C)C)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H25BrN2O4/c1-5-23-16-9-7-6-8-15(16)12-14-10-11-18(17(13-14)24(26)27)28-20(22)19(25)21(2,3)4/h6-11,13,20,23H,5,12H2,1-4H3