2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzonitrile CAS Name: 2-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-5-nitrobenzonitrile IUPAC Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitrobenzonitrile Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-5-nitro-benzonitrile Formula: C15H17N5O2 MolecularWeight: 299.32778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=NN1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C15H17N5O2/c1-11-8-12(2)19(18-11)7-3-6-17-15-5-4-14(20(21)22)9-13(15)10-16/h4-5,8-9,17H,3,6-7H2,1-2H3