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

Systemtic Name: (5E)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-2-pentyl-cyclopent-2-en-1-one Openeye Name: (5E)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-pentyl-cyclopent-2-en-1-one CAS Name: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-pentyl-1-cyclopent-2-enone IUPAC Name: (5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-pentylcyclopent-2-en-1-one Traditional Name: (5E)-2-amyl-5-(4-hydroxy-3-nitro-benzylidene)cyclopent-2-en-1-one Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-2-3-4-5-13-7-8-14(17(13)20)10-12-6-9-16(19)15(11-12)18(21)22/h6-7,9-11,19H,2-5,8H2,1H3/b14-10+