2-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-nitro-phenolate CAS Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-nitrophenolate Traditional Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-nitro-phenolate Formula: C16H17N6O3- MolecularWeight: 341.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O3/c17-9-13-14(20-21-16(13)18)4-2-1-3-7-19-10-11-8-12(22(24)25)5-6-15(11)23/h5-6,8,10,23H,1-4,7H2,(H3,18,20,21)/p-1