(4-nitrophenyl)methyl 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: (4-nitrophenyl)methyl 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]propionic acid (4-nitrobenzyl) ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-15-21(16(2)24(23-15)19-5-4-6-20(13-19)29-3)11-12-22(26)30-14-17-7-9-18(10-8-17)25(27)28/h4-10,13H,11-12,14H2,1-3H3