(3R,6S)-3-methyl-2-[(3-nitro-4-oxidanyl-phenyl)methylidene]-6-propan-2-yl-cyclohexan-1-one

Systemtic Name: (3R,6S)-3-methyl-2-[(3-nitro-4-oxidanyl-phenyl)methylidene]-6-propan-2-yl-cyclohexan-1-one Openeye Name: (3R,6S)-2-[(4-hydroxy-3-nitro-phenyl)methylene]-6-isopropyl-3-methyl-cyclohexanone CAS Name: (3R,6S)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-3-methyl-6-propan-2-yl-1-cyclohexanone IUPAC Name: (3R,6S)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one Traditional Name: (3R,6S)-2-(4-hydroxy-3-nitro-benzylidene)-6-isopropyl-3-methyl-cyclohexanone Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CC[C@H](C(=O)C1=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H21NO4/c1-10(2)13-6-4-11(3)14(17(13)20)8-12-5-7-16(19)15(9-12)18(21)22/h5,7-11,13,19H,4,6H2,1-3H3/t11-,13+/m1/s1