2-[3-(3,5-dimethylpyrazol-1-yl)propyliminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propyliminomethyl]-4-nitro-phenolate Openeye Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propyliminomethyl]-4-nitro-phenolate CAS Name: 2-[3-(3,5-dimethyl-1-pyrazolyl)propyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propyliminomethyl]-4-nitrophenolate Traditional Name: 2-[3-(3,5-dimethylpyrazol-1-yl)propyliminomethyl]-4-nitro-phenolate Formula: C15H17N4O3- MolecularWeight: 301.32048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C15H18N4O3/c1-11-8-12(2)18(17-11)7-3-6-16-10-13-9-14(19(21)22)4-5-15(13)20/h4-5,8-10,20H,3,6-7H2,1-2H3/p-1