2-(5-methyl-2-phenyl-pyrazol-3-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-(5-methyl-2-phenyl-pyrazol-3-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(5-methyl-2-phenyl-pyrazol-3-yl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(5-methyl-2-phenyl-3-pyrazolyl)-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(5-methyl-2-phenylpyrazol-3-yl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(5-methyl-2-phenyl-pyrazol-3-yl)isoindoline-5-carboxylate Formula: C19H12N3O4- MolecularWeight: 346.31628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H13N3O4/c1-11-9-16(22(20-11)13-5-3-2-4-6-13)21-17(23)14-8-7-12(19(25)26)10-15(14)18(21)24/h2-10H,1H3,(H,25,26)/p-1