1-[5-(3-nitro-4-piperidin-1-yl-phenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-[5-(3-nitro-4-piperidin-1-yl-phenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-[5-[3-nitro-4-(1-piperidyl)phenyl]-2-furyl]-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-[5-[3-nitro-4-(1-piperidinyl)phenyl]-2-furanyl]-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-[5-(3-nitro-4-piperidin-1-ylphenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-[5-(3-nitro-4-piperidino-phenyl)-2-furyl]methylene-(1,2,4-triazol-4-yl)amine Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C3=CC=C(O3)C=NN4C=NN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C3=CC=C(O3)/C=N/N4C=NN=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3/c25-24(26)17-10-14(4-6-16(17)22-8-2-1-3-9-22)18-7-5-15(27-18)11-21-23-12-19-20-13-23/h4-7,10-13H,1-3,8-9H2/b21-11+