4-chloranyl-2-[3-(3,5-dimethylpyrazol-1-yl)propyliminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[3-(3,5-dimethylpyrazol-1-yl)propyliminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[3-(3,5-dimethylpyrazol-1-yl)propyliminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[3-(3,5-dimethyl-1-pyrazolyl)propyliminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[3-(3,5-dimethylpyrazol-1-yl)propyliminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[3-(3,5-dimethylpyrazol-1-yl)propyliminomethyl]-6-nitro-phenolate Formula: C15H16ClN4O3- MolecularWeight: 335.76554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4O3/c1-10-6-11(2)19(18-10)5-3-4-17-9-12-7-13(16)8-14(15(12)21)20(22)23/h6-9,21H,3-5H2,1-2H3/p-1