5-nitro-2-[(4-pyrazol-1-ylphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[(4-pyrazol-1-ylphenyl)methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[(4-pyrazol-1-ylphenyl)methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[[4-(1-pyrazolyl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[(4-pyrazol-1-ylphenyl)methyl]isoindole-1,3-dione Traditional Name: 5-nitro-2-(4-pyrazol-1-ylbenzyl)isoindoline-1,3-quinone Formula: C18H12N4O4 MolecularWeight: 348.31228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O4/c23-17-15-7-6-14(22(25)26)10-16(15)18(24)20(17)11-12-2-4-13(5-3-12)21-9-1-8-19-21/h1-10H,11H2