[2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] (E)-3-phenylprop-2-enoate Openeye Name: [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-propan-2-ylpyrazol-3-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-15(2)19-14-20(28-21(25)13-8-16-6-4-3-5-7-16)23(22-19)17-9-11-18(12-10-17)24(26)27/h3-15H,1-2H3/b13-8+