3-nitro-4-[(1,3,5-trimethylpyrazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[(1,3,5-trimethylpyrazol-4-yl)amino]benzenecarbonitrile Openeye Name: 3-nitro-4-[(1,3,5-trimethylpyrazol-4-yl)amino]benzonitrile CAS Name: 3-nitro-4-[(1,3,5-trimethyl-4-pyrazolyl)amino]benzonitrile IUPAC Name: 3-nitro-4-[(1,3,5-trimethylpyrazol-4-yl)amino]benzonitrile Traditional Name: 3-nitro-4-[(1,3,5-trimethylpyrazol-4-yl)amino]benzonitrile Formula: C13H13N5O2 MolecularWeight: 271.27462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O2/c1-8-13(9(2)17(3)16-8)15-11-5-4-10(7-14)6-12(11)18(19)20/h4-6,15H,1-3H3