3-azanyl-5-[3-[methyl-(5-nitropyridin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[methyl-(5-nitropyridin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[methyl-(5-nitro-2-pyridyl)amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[methyl-(5-nitro-2-pyridinyl)amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[methyl-(5-nitropyridin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[methyl-(5-nitro-2-pyridyl)amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C13H15N7O2 MolecularWeight: 301.3039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N7O2/c1-19(12-5-4-9(8-16-12)20(21)22)6-2-3-11-10(7-14)13(15)18-17-11/h4-5,8H,2-3,6H2,1H3,(H3,15,17,18)