2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-5-nitro-benzonitrile CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-5-nitro-benzonitrile Formula: C19H17N5O2 MolecularWeight: 347.37058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H17N5O2/c1-13-18(14(2)23(22-13)16-6-4-3-5-7-16)12-21-19-9-8-17(24(25)26)10-15(19)11-20/h3-10,21H,12H2,1-2H3