4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methylideneamino]oxymethyl]benzoic acid

Systemtic Name: 4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methylideneamino]oxymethyl]benzoic acid Openeye Name: 4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methyleneamino]oxymethyl]benzoic acid CAS Name: 4-[[(E)-(1,3-dimethyl-5-phenoxy-4-pyrazolyl)methylideneamino]oxymethyl]benzoic acid IUPAC Name: 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoic acid Traditional Name: 4-[[(E)-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methyleneamino]oxymethyl]benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)O)OC3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3O4/c1-14-18(19(23(2)22-14)27-17-6-4-3-5-7-17)12-21-26-13-15-8-10-16(11-9-15)20(24)25/h3-12H,13H2,1-2H3,(H,24,25)/b21-12+