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

Systemtic Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-5-nitro-benzonitrile CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-5-nitrobenzonitrile Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-5-nitro-benzonitrile Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2/c1-14-19(15(2)24(22-14)17-7-5-4-6-8-17)13-23(3)20-10-9-18(25(26)27)11-16(20)12-21/h4-11H,13H2,1-3H3