(3Z,5E)-1-ethyl-3,5-bis[(4-nitrophenyl)methylidene]piperidin-1-ium-4-one

Systemtic Name: (3Z,5E)-1-ethyl-3,5-bis[(4-nitrophenyl)methylidene]piperidin-1-ium-4-one Openeye Name: (3Z,5E)-1-ethyl-3,5-bis[(4-nitrophenyl)methylene]piperidin-1-ium-4-one CAS Name: (3Z,5E)-1-ethyl-3,5-bis[(4-nitrophenyl)methylidene]-4-piperidin-1-iumone IUPAC Name: (3Z,5E)-1-ethyl-3,5-bis[(4-nitrophenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3Z,5E)-1-ethyl-3,5-bis(4-nitrobenzylidene)piperidin-1-ium-4-one Formula: C21H20N3O5+ MolecularWeight: 394.4006

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C1

Isomeric SMILES

CC[NH+]1C/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C1

InChI

InChI=1S/C21H19N3O5/c1-2-22-13-17(11-15-3-7-19(8-4-15)23(26)27)21(25)18(14-22)12-16-5-9-20(10-6-16)24(28)29/h3-12H,2,13-14H2,1H3/p+1/b17-11-,18-12+