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

Systemtic Name: 2-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyliminomethyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyliminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyliminomethyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyliminomethyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyliminomethyl]-4-chloro-6-nitro-phenolate Formula: C14H12ClN6O3- MolecularWeight: 347.73648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN6O3/c15-9-4-8(13(22)12(5-9)21(23)24)7-18-3-1-2-11-10(6-16)14(17)20-19-11/h4-5,7,22H,1-3H2,(H3,17,19,20)/p-1