(3S,6S)-2-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-3-methyl-6-propan-2-yl-cyclohexan-1-one

Systemtic Name: (3S,6S)-2-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-3-methyl-6-propan-2-yl-cyclohexan-1-one Openeye Name: (3S,6S)-2-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-6-isopropyl-3-methyl-cyclohexanone CAS Name: (3S,6S)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-3-methyl-6-propan-2-yl-1-cyclohexanone IUPAC Name: (3S,6S)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-3-methyl-6-propan-2-ylcyclohexan-1-one Traditional Name: (3S,6S)-2-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-6-isopropyl-3-methyl-cyclohexanone Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-10(2)13-6-5-11(3)14(17(13)20)7-12-8-15(19(22)23)18(21)16(9-12)24-4/h7-11,13,21H,5-6H2,1-4H3/t11-,13-/m0/s1