tert-butyl 4-[(E)-1-azanyloxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethenyl]benzoate

Systemtic Name: tert-butyl 4-[(E)-1-azanyloxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)ethenyl]benzoate Openeye Name: tert-butyl 4-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)vinyl]benzoate CAS Name: 4-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-4-pyrazolyl)ethenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethenyl]benzoate Traditional Name: 4-[(E)-1-aminooxy-2-(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)vinyl]benzoic acid tert-butyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-16-20(22(27(5)26-16)29-19-9-7-6-8-10-19)15-21(31-25)17-11-13-18(14-12-17)23(28)30-24(2,3)4/h6-15H,25H2,1-5H3/b21-15+