1-bromanyl-4-chloranyl-3,3-dimethyl-1-(2-methyl-5-nitro-phenoxy)butan-2-one

Systemtic Name: 1-bromanyl-4-chloranyl-3,3-dimethyl-1-(2-methyl-5-nitro-phenoxy)butan-2-one Openeye Name: 1-bromo-4-chloro-3,3-dimethyl-1-(2-methyl-5-nitro-phenoxy)butan-2-one CAS Name: 1-bromo-4-chloro-3,3-dimethyl-1-(2-methyl-5-nitrophenoxy)-2-butanone IUPAC Name: 1-bromo-4-chloro-3,3-dimethyl-1-(2-methyl-5-nitrophenoxy)butan-2-one Traditional Name: 1-bromo-4-chloro-3,3-dimethyl-1-(2-methyl-5-nitro-phenoxy)butan-2-one Formula: C13H15BrClNO4 MolecularWeight: 364.6195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OC(C(=O)C(C)(C)CCl)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OC(C(=O)C(C)(C)CCl)Br

InChI

InChI=1S/C13H15BrClNO4/c1-8-4-5-9(16(18)19)6-10(8)20-12(14)11(17)13(2,3)7-15/h4-6,12H,7H2,1-3H3