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

Systemtic Name: 3-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)-phenyl-amino]propanenitrile Openeye Name: 3-(N-(2,5-dimethyl-4-nitro-pyrazol-3-yl)anilino)propanenitrile CAS Name: 3-(N-(2,5-dimethyl-4-nitro-3-pyrazolyl)anilino)propanenitrile IUPAC Name: 3-(N-(2,5-dimethyl-4-nitropyrazol-3-yl)anilino)propanenitrile Traditional Name: 3-(N-(2,5-dimethyl-4-nitro-pyrazol-3-yl)anilino)propionitrile Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])N(CCC#N)C2=CC=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])N(CCC#N)C2=CC=CC=C2)C

InChI

InChI=1S/C14H15N5O2/c1-11-13(19(20)21)14(17(2)16-11)18(10-6-9-15)12-7-4-3-5-8-12/h3-5,7-8H,6,10H2,1-2H3