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

Systemtic Name: 2-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyliminomethyl]-4-nitro-phenolate CAS Name: 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyliminomethyl]-4-nitrophenolate Traditional Name: 2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyliminomethyl]-4-nitro-phenolate Formula: C14H13N6O3- MolecularWeight: 313.29142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N6O3/c15-7-11-12(18-19-14(11)16)2-1-5-17-8-9-6-10(20(22)23)3-4-13(9)21/h3-4,6,8,21H,1-2,5H2,(H3,16,18,19)/p-1