(3E,5E)-1-methyl-3,5-bis[(2-nitrophenyl)methylidene]piperidin-4-one hydrochloride

Systemtic Name: (3E,5E)-1-methyl-3,5-bis[(2-nitrophenyl)methylidene]piperidin-4-one hydrochloride Openeye Name: (3E,5E)-1-methyl-3,5-bis[(2-nitrophenyl)methylene]piperidin-4-one hydrochloride CAS Name: (3E,5E)-1-methyl-3,5-bis[(2-nitrophenyl)methylidene]-4-piperidinone hydrochloride IUPAC Name: (3E,5E)-1-methyl-3,5-bis[(2-nitrophenyl)methylidene]piperidin-4-one hydrochloride Traditional Name: (3E,5E)-1-methyl-3,5-bis(2-nitrobenzylidene)-4-piperidone hydrochloride Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5.ClH/c1-21-12-16(10-14-6-2-4-8-18(14)22(25)26)20(24)17(13-21)11-15-7-3-5-9-19(15)23(27)28;/h2-11H,12-13H2,1H3;1H/b16-10+,17-11+;