3-azanyl-5-[3-[(4-cyano-2-nitro-phenyl)-methyl-amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[(4-cyano-2-nitro-phenyl)-methyl-amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-(4-cyano-N-methyl-2-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-(4-cyano-N-methyl-2-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-(4-cyano-N-methyl-2-nitroanilino)propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-(4-cyano-N-methyl-2-nitro-anilino)propyl]-1H-pyrazole-4-carbonitrile Formula: C15H15N7O2 MolecularWeight: 325.3253

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=C(C(=NN1)N)C#N)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC1=C(C(=NN1)N)C#N)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H15N7O2/c1-21(6-2-3-12-11(9-17)15(18)20-19-12)13-5-4-10(8-16)7-14(13)22(23)24/h4-5,7H,2-3,6H2,1H3,(H3,18,19,20)