2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]-nitroso-amino]propanoic acid

Systemtic Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]-nitroso-amino]propanoic acid Openeye Name: 2-[4-(3,5-dimethylpyrazol-1-yl)-N-nitroso-anilino]propanoic acid CAS Name: 2-[4-(3,5-dimethyl-1-pyrazolyl)-N-nitrosoanilino]propanoic acid IUPAC Name: 2-[4-(3,5-dimethylpyrazol-1-yl)-N-nitrosoanilino]propanoic acid Traditional Name: 2-[4-(3,5-dimethylpyrazol-1-yl)-N-nitroso-anilino]propionic acid Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)N(C(C)C(=O)O)N=O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)N(C(C)C(=O)O)N=O)C

InChI

InChI=1S/C14H16N4O3/c1-9-8-10(2)17(15-9)12-4-6-13(7-5-12)18(16-21)11(3)14(19)20/h4-8,11H,1-3H3,(H,19,20)