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

Systemtic Name: N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-nitro-4-piperidin-1-yl-phenyl)methanimine Openeye Name: N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-[3-nitro-4-(1-piperidyl)phenyl]methanimine CAS Name: N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-[3-nitro-4-(1-piperidinyl)phenyl]methanimine IUPAC Name: N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-nitro-4-piperidin-1-ylphenyl)methanimine Traditional Name: (E)-(3,5-dimethyl-1,2,4-triazol-4-yl)-(3-nitro-4-piperidino-benzylidene)amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N=CC2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN=C(N1/N=C/C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N6O2/c1-12-18-19-13(2)21(12)17-11-14-6-7-15(16(10-14)22(23)24)20-8-4-3-5-9-20/h6-7,10-11H,3-5,8-9H2,1-2H3/b17-11+