4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitro-benzonitrile CAS Name: 4-[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-3-nitrobenzonitrile IUPAC Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-nitrobenzonitrile Traditional Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-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)C#N)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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