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

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(3-nitro-4-propan-2-yl-phenyl)methanimine Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(4-isopropyl-3-nitro-phenyl)methanimine CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)-1,2,4-triazol-4-yl]-1-(3-nitro-4-propan-2-ylphenyl)methanimine IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(3-nitro-4-propan-2-ylphenyl)methanimine Traditional Name: (E)-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-(4-isopropyl-3-nitro-benzylidene)amine Formula: C17H19N7O2 MolecularWeight: 353.37846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=CN2N=CC3=CC(=C(C=C3)C(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NN=CN2/N=C/C3=CC(=C(C=C3)C(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H19N7O2/c1-11(2)15-6-5-14(8-16(15)24(25)26)9-19-22-10-18-20-17(22)23-13(4)7-12(3)21-23/h5-11H,1-4H3/b19-9+