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

Systemtic Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]-nitroso-amino]-2-phenyl-ethanoic acid Openeye Name: 2-[4-(3,5-dimethylpyrazol-1-yl)-N-nitroso-anilino]-2-phenyl-acetic acid CAS Name: 2-[4-(3,5-dimethyl-1-pyrazolyl)-N-nitrosoanilino]-2-phenylacetic acid IUPAC Name: 2-[4-(3,5-dimethylpyrazol-1-yl)-N-nitrosoanilino]-2-phenylacetic acid Traditional Name: 2-[4-(3,5-dimethylpyrazol-1-yl)-N-nitroso-anilino]-2-phenyl-acetic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)N(C(C3=CC=CC=C3)C(=O)O)N=O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)N(C(C3=CC=CC=C3)C(=O)O)N=O)C

InChI

InChI=1S/C19H18N4O3/c1-13-12-14(2)22(20-13)16-8-10-17(11-9-16)23(21-26)18(19(24)25)15-6-4-3-5-7-15/h3-12,18H,1-2H3,(H,24,25)