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

Systemtic Name: (3Z,5E)-1-ethyl-3,5-bis[(3-nitro-4-oxidanyl-phenyl)methylidene]piperidin-4-one Openeye Name: (3Z,5E)-1-ethyl-3,5-bis[(4-hydroxy-3-nitro-phenyl)methylene]piperidin-4-one CAS Name: (3Z,5E)-1-ethyl-3,5-bis[(4-hydroxy-3-nitrophenyl)methylidene]-4-piperidinone IUPAC Name: (3Z,5E)-1-ethyl-3,5-bis[(4-hydroxy-3-nitrophenyl)methylidene]piperidin-4-one Traditional Name: (3Z,5E)-1-ethyl-3,5-bis(4-hydroxy-3-nitro-benzylidene)-4-piperidone Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C1

Isomeric SMILES

CCN1C/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/C21H19N3O7/c1-2-22-11-15(7-13-3-5-19(25)17(9-13)23(28)29)21(27)16(12-22)8-14-4-6-20(26)18(10-14)24(30)31/h3-10,25-26H,2,11-12H2,1H3/b15-7-,16-8+