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

Systemtic Name: (4-nitrophenyl)methyl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (4-nitrobenzyl) ester Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O6/c1-34-24-14-10-20(16-25(24)35-2)27-21(17-29(28-27)22-6-4-3-5-7-22)11-15-26(31)36-18-19-8-12-23(13-9-19)30(32)33/h3-17H,18H2,1-2H3/b15-11+