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

Systemtic Name: (2E,6S)-2-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-6-phenyl-cyclohexan-1-one Openeye Name: (2E,6S)-2-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-6-phenyl-cyclohexanone CAS Name: (2E,6S)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-phenyl-1-cyclohexanone IUPAC Name: (2E,6S)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-phenylcyclohexan-1-one Traditional Name: (2E,6S)-2-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-6-phenyl-cyclohexanone Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2CCCC(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\CCC[C@H](C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO5/c1-26-18-12-13(11-17(20(18)23)21(24)25)10-15-8-5-9-16(19(15)22)14-6-3-2-4-7-14/h2-4,6-7,10-12,16,23H,5,8-9H2,1H3/b15-10+/t16-/m0/s1