1-[(4-bromophenyl)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3-nitrophenyl)methyleneamino]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-(3-nitrobenzylidene)amino]isonipecotamide Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O3/c21-18-6-4-15(5-7-18)14-24-10-8-17(9-11-24)20(26)23-22-13-16-2-1-3-19(12-16)25(27)28/h1-7,12-13,17H,8-11,14H2,(H,23,26)/b22-13+