(5E)-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-2-pentyl-cyclopent-2-en-1-one

Systemtic Name: (5E)-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-2-pentyl-cyclopent-2-en-1-one Openeye Name: (5E)-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-2-pentyl-cyclopent-2-en-1-one CAS Name: (5E)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-pentyl-1-cyclopent-2-enone IUPAC Name: (5E)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-pentylcyclopent-2-en-1-one Traditional Name: (5E)-2-amyl-5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)cyclopent-2-en-1-one Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CCC(=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C1=O

Isomeric SMILES

CCCCCC1=CC/C(=C\C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])/C1=O

InChI

InChI=1S/C18H21NO5/c1-3-4-5-6-13-7-8-14(17(13)20)9-12-10-15(19(22)23)18(21)16(11-12)24-2/h7,9-11,21H,3-6,8H2,1-2H3/b14-9+