(phenylmethyl) 3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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