1-(3-nitro-4-propan-2-yl-phenyl)-N-(1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-(3-nitro-4-propan-2-yl-phenyl)-N-(1,2,4-triazol-4-yl)methanimine Openeye Name: 1-(4-isopropyl-3-nitro-phenyl)-N-(1,2,4-triazol-4-yl)methanimine CAS Name: 1-(3-nitro-4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine IUPAC Name: 1-(3-nitro-4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine Traditional Name: (Z)-(4-isopropyl-3-nitro-benzylidene)-(1,2,4-triazol-4-yl)amine Formula: C12H13N5O2 MolecularWeight: 259.26392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=NN2C=NN=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=N\N2C=NN=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O2/c1-9(2)11-4-3-10(5-12(11)17(18)19)6-15-16-7-13-14-8-16/h3-9H,1-2H3/b15-6-