methyl 2-methyl-2-[5-nitroso-4-(oxidanylamino)-1-phenyl-pyrazol-3-yl]propanoate

Systemtic Name: methyl 2-methyl-2-[5-nitroso-4-(oxidanylamino)-1-phenyl-pyrazol-3-yl]propanoate Openeye Name: methyl 2-[4-(hydroxyamino)-5-nitroso-1-phenyl-pyrazol-3-yl]-2-methyl-propanoate CAS Name: 2-[4-(hydroxyamino)-5-nitroso-1-phenyl-3-pyrazolyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-(hydroxyamino)-5-nitroso-1-phenylpyrazol-3-yl]-2-methylpropanoate Traditional Name: 2-[4-(hydroxyamino)-5-nitroso-1-phenyl-pyrazol-3-yl]-2-methyl-propionic acid methyl ester Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NN(C(=C1NO)N=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C1=NN(C(=C1NO)N=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H16N4O4/c1-14(2,13(19)22-3)11-10(16-20)12(17-21)18(15-11)9-7-5-4-6-8-9/h4-8,16,20H,1-3H3