4-[(E)-1-azanyloxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-1-azanyloxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)vinyl]benzoic acid CAS Name: 4-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-4-pyrazolyl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)vinyl]benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C2=CC=C(C=C2)C(=O)O)ON)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C2=CC=C(C=C2)C(=O)O)/ON)OC3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3O4/c1-13-17(19(23(2)22-13)26-16-6-4-3-5-7-16)12-18(27-21)14-8-10-15(11-9-14)20(24)25/h3-12H,21H2,1-2H3,(H,24,25)/b18-12+