[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-phenylprop-2-enoate

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-phenylprop-2-enoate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-phenylprop-2-enoate CAS Name: 3-phenyl-2-propenoic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-phenylprop-2-enoate Traditional Name: 3-phenylacrylic acid [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)OC(=O)C=CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OC(=O)C=CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4/c1-22(2,3)19-15-20(29-21(26)14-9-16-7-5-4-6-8-16)24(23-19)17-10-12-18(13-11-17)25(27)28/h4-15H,1-3H3