ethyl 5-[4,5-dimethoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[4,5-dimethoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-(4,5-dimethoxy-1,3-dioxo-isoindolin-2-yl)-1H-pyrazole-4-carboxylate CAS Name: 5-(4,5-dimethoxy-1,3-dioxo-2-isoindolyl)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(1,3-diketo-4,5-dimethoxy-isoindolin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C16H15N3O6 MolecularWeight: 345.3068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)N2C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)N2C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC

InChI

InChI=1S/C16H15N3O6/c1-4-25-16(22)9-7-17-18-13(9)19-14(20)8-5-6-10(23-2)12(24-3)11(8)15(19)21/h5-7H,4H2,1-3H3,(H,17,18)