2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-nitro-isoindole-1,3-dione Openeye Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-nitro-isoindoline-1,3-dione CAS Name: 2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-nitroisoindole-1,3-dione IUPAC Name: 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-nitroisoindole-1,3-dione Traditional Name: 2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-nitro-isoindoline-1,3-quinone Formula: C19H14N4O5 MolecularWeight: 378.33826

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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O5/c1-11-16(19(26)22(20(11)2)12-6-4-3-5-7-12)21-17(24)14-9-8-13(23(27)28)10-15(14)18(21)25/h3-10H,1-2H3