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

Systemtic Name: 3-azanyl-5-[3-[(3-nitropyridin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[(3-nitro-2-pyridyl)amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[(3-nitro-2-pyridinyl)amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[(3-nitropyridin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[(3-nitro-2-pyridyl)amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C12H13N7O2 MolecularWeight: 287.27732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N7O2/c13-7-8-9(17-18-11(8)14)3-1-5-15-12-10(19(20)21)4-2-6-16-12/h2,4,6H,1,3,5H2,(H,15,16)(H3,14,17,18)