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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC3=CC=C(C=C3)N4C=CC=N4

InChI

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