2-[[[2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-phenyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 2-[[[2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-phenyl]amino]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-anilino]methyl]benzonitrile CAS Name: 2-[[2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-3-pyrazolyl]-4-nitroanilino]methyl]benzonitrile IUPAC Name: 2-[[2-[4-(3,3-dimethylbut-1-ynyl)-1-methylpyrazol-3-yl]-4-nitroanilino]methyl]benzonitrile Traditional Name: 2-[[2-[4-(3,3-dimethylbut-1-ynyl)-1-methyl-pyrazol-3-yl]-4-nitro-anilino]methyl]benzonitrile Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CN(N=C1C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3C#N)C

Isomeric SMILES

CC(C)(C)C#CC1=CN(N=C1C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3C#N)C

InChI

InChI=1S/C24H23N5O2/c1-24(2,3)12-11-19-16-28(4)27-23(19)21-13-20(29(30)31)9-10-22(21)26-15-18-8-6-5-7-17(18)14-25/h5-10,13,16,26H,15H2,1-4H3