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

Systemtic Name: (3Z,5E)-1-ethyl-3,5-bis[(4-nitro-3-oxidanyl-phenyl)methylidene]piperidin-4-one Openeye Name: (3Z,5E)-1-ethyl-3,5-bis[(3-hydroxy-4-nitro-phenyl)methylene]piperidin-4-one CAS Name: (3Z,5E)-1-ethyl-3,5-bis[(3-hydroxy-4-nitrophenyl)methylidene]-4-piperidinone IUPAC Name: (3Z,5E)-1-ethyl-3,5-bis[(3-hydroxy-4-nitrophenyl)methylidene]piperidin-4-one Traditional Name: (3Z,5E)-1-ethyl-3,5-bis(3-hydroxy-4-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)[N+](=O)[O-])O)C(=O)C(=CC3=CC(=C(C=C3)[N+](=O)[O-])O)C1

Isomeric SMILES

CCN1C/C(=C\C2=CC(=C(C=C2)[N+](=O)[O-])O)/C(=O)/C(=C\C3=CC(=C(C=C3)[N+](=O)[O-])O)/C1

InChI

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