1-(3-bromanyl-5-methyl-2-oxidanyl-phenyl)-3-(4-nitrophenyl)propan-1-one

Systemtic Name: 1-(3-bromanyl-5-methyl-2-oxidanyl-phenyl)-3-(4-nitrophenyl)propan-1-one Openeye Name: 1-(3-bromo-2-hydroxy-5-methyl-phenyl)-3-(4-nitrophenyl)propan-1-one CAS Name: 1-(3-bromo-2-hydroxy-5-methylphenyl)-3-(4-nitrophenyl)-1-propanone IUPAC Name: 1-(3-bromo-2-hydroxy-5-methylphenyl)-3-(4-nitrophenyl)propan-1-one Traditional Name: 1-(3-bromo-2-hydroxy-5-methyl-phenyl)-3-(4-nitrophenyl)propan-1-one Formula: C16H14BrNO4 MolecularWeight: 364.19066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)CCC2=CC=C(C=C2)[N+](=O)[O-])O)Br

InChI

InChI=1S/C16H14BrNO4/c1-10-8-13(16(20)14(17)9-10)15(19)7-4-11-2-5-12(6-3-11)18(21)22/h2-3,5-6,8-9,20H,4,7H2,1H3