[5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [5-ethyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C19H15N3O6 MolecularWeight: 381.3389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O6/c1-2-13-10-18(21(20-13)14-4-6-15(7-5-14)22(24)25)28-19(23)12-3-8-16-17(9-12)27-11-26-16/h3-10H,2,11H2,1H3