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

Systemtic Name: 3-azanyl-5-[5-[(4-cyano-2-nitro-phenyl)amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-(4-cyano-2-nitro-anilino)pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-(4-cyano-2-nitroanilino)pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-(4-cyano-2-nitroanilino)pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-(4-cyano-2-nitro-anilino)pentyl]-1H-pyrazole-4-carbonitrile Formula: C16H17N7O2 MolecularWeight: 339.35188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCCCCC2=C(C(=NN2)N)C#N

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCCCCC2=C(C(=NN2)N)C#N

InChI

InChI=1S/C16H17N7O2/c17-9-11-5-6-14(15(8-11)23(24)25)20-7-3-1-2-4-13-12(10-18)16(19)22-21-13/h5-6,8,20H,1-4,7H2,(H3,19,21,22)