2-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-chloranyl-6-nitro-phenolate

Systemtic Name: 2-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentyliminomethyl]-4-chloro-6-nitro-phenolate Formula: C16H16ClN6O3- MolecularWeight: 375.78964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN6O3/c17-11-6-10(15(24)14(7-11)23(25)26)9-20-5-3-1-2-4-13-12(8-18)16(19)22-21-13/h6-7,9,24H,1-5H2,(H3,19,21,22)/p-1