(3-nitrophenyl)methyl (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (3-nitrophenyl)methyl (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (3-nitrophenyl)methyl (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (3-nitrobenzyl) ester Formula: C26H21N3O5 MolecularWeight: 455.46204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H21N3O5/c1-33-24-13-10-20(11-14-24)26-21(17-28(27-26)22-7-3-2-4-8-22)12-15-25(30)34-18-19-6-5-9-23(16-19)29(31)32/h2-17H,18H2,1H3/b15-12+