(3Z,5E)-1-methyl-3,5-bis[(3-nitro-4-oxidanyl-phenyl)methylidene]piperidin-4-one

Systemtic Name: (3Z,5E)-1-methyl-3,5-bis[(3-nitro-4-oxidanyl-phenyl)methylidene]piperidin-4-one Openeye Name: (3Z,5E)-3,5-bis[(4-hydroxy-3-nitro-phenyl)methylene]-1-methyl-piperidin-4-one CAS Name: (3Z,5E)-3,5-bis[(4-hydroxy-3-nitrophenyl)methylidene]-1-methyl-4-piperidinone IUPAC Name: (3Z,5E)-3,5-bis[(4-hydroxy-3-nitrophenyl)methylidene]-1-methylpiperidin-4-one Traditional Name: (3Z,5E)-3,5-bis(4-hydroxy-3-nitro-benzylidene)-1-methyl-4-piperidone Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C1

Isomeric SMILES

CN1C/C(=C\C2=CC(=C(C=C2)O)[N+](=O)[O-])/C(=O)/C(=C\C3=CC(=C(C=C3)O)[N+](=O)[O-])/C1

InChI

InChI=1S/C20H17N3O7/c1-21-10-14(6-12-2-4-18(24)16(8-12)22(27)28)20(26)15(11-21)7-13-3-5-19(25)17(9-13)23(29)30/h2-9,24-25H,10-11H2,1H3/b14-6-,15-7+