2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)isoindoline-5-carboxylate Formula: C20H14N3O5- MolecularWeight: 376.34226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C20H15N3O5/c1-11-16(19(26)23(21(11)2)13-6-4-3-5-7-13)22-17(24)14-9-8-12(20(27)28)10-15(14)18(22)25/h3-10H,1-2H3,(H,27,28)/p-1