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

Systemtic Name: 3-azanyl-5-[5-[(3-nitropyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[(3-nitro-2-pyridyl)amino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[(3-nitro-2-pyridinyl)amino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-[(3-nitropyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-[(3-nitro-2-pyridyl)amino]pentyl]-1H-pyrazole-4-carbonitrile Formula: C14H17N7O2 MolecularWeight: 315.33048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NCCCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)NCCCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O2/c15-9-10-11(19-20-13(10)16)5-2-1-3-7-17-14-12(21(22)23)6-4-8-18-14/h4,6,8H,1-3,5,7H2,(H,17,18)(H3,16,19,20)