1-[2-(azepan-1-yl)-5-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-[2-(azepan-1-yl)-5-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[2-(azepan-1-yl)-5-nitro-phenyl]-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[2-(1-azepanyl)-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[2-(azepan-1-yl)-5-nitrophenyl]-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[2-(azepan-1-yl)-5-nitro-benzylidene]-(1,2,4-triazol-4-yl)amine Formula: C15H18N6O2 MolecularWeight: 314.34242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NN3C=NN=C3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/N3C=NN=C3

InChI

InChI=1S/C15H18N6O2/c22-21(23)14-5-6-15(19-7-3-1-2-4-8-19)13(9-14)10-18-20-11-16-17-12-20/h5-6,9-12H,1-4,7-8H2/b18-10+