1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]piperidine-4-carboxamide

Systemtic Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]piperidine-4-carboxamide Openeye Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitro-2-thienyl)methyleneamino]piperidine-4-carboxamide CAS Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-4-piperidinecarboxamide IUPAC Name: 1-[(4-nitrophenyl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]piperidine-4-carboxamide Traditional Name: 1-(4-nitrobenzyl)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]isonipecotamide Formula: C18H19N5O5S MolecularWeight: 417.43896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5S/c24-18(20-19-11-16-5-6-17(29-16)23(27)28)14-7-9-21(10-8-14)12-13-1-3-15(4-2-13)22(25)26/h1-6,11,14H,7-10,12H2,(H,20,24)/b19-11+