[2-(4-methylphenyl)-5-propyl-pyrazol-3-yl] 4-nitrobenzoate

Systemtic Name: [2-(4-methylphenyl)-5-propyl-pyrazol-3-yl] 4-nitrobenzoate Openeye Name: [5-propyl-2-(p-tolyl)pyrazol-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(4-methylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-propylpyrazol-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-propyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C

InChI

InChI=1S/C20H19N3O4/c1-3-4-16-13-19(22(21-16)17-9-5-14(2)6-10-17)27-20(24)15-7-11-18(12-8-15)23(25)26/h5-13H,3-4H2,1-2H3