(2R,5S,6E)-2-bromanyl-5-methyl-6-[(3-nitrophenyl)methylidene]-2-propan-2-yl-cyclohexan-1-one

Systemtic Name: (2R,5S,6E)-2-bromanyl-5-methyl-6-[(3-nitrophenyl)methylidene]-2-propan-2-yl-cyclohexan-1-one Openeye Name: (2R,5S,6E)-2-bromo-2-isopropyl-5-methyl-6-[(3-nitrophenyl)methylene]cyclohexanone CAS Name: (2R,5S,6E)-2-bromo-5-methyl-6-[(3-nitrophenyl)methylidene]-2-propan-2-yl-1-cyclohexanone IUPAC Name: (2R,5S,6E)-2-bromo-5-methyl-6-[(3-nitrophenyl)methylidene]-2-propan-2-ylcyclohexan-1-one Traditional Name: (2R,5S,6E)-2-bromo-2-isopropyl-5-methyl-6-(3-nitrobenzylidene)cyclohexanone Formula: C17H20BrNO3 MolecularWeight: 366.2496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1=CC2=CC(=CC=C2)[N+](=O)[O-])(C(C)C)Br

Isomeric SMILES

C[C@H]\1CC[C@](C(=O)/C1=C/C2=CC(=CC=C2)[N+](=O)[O-])(C(C)C)Br

InChI

InChI=1S/C17H20BrNO3/c1-11(2)17(18)8-7-12(3)15(16(17)20)10-13-5-4-6-14(9-13)19(21)22/h4-6,9-12H,7-8H2,1-3H3/b15-10+/t12-,17+/m0/s1