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

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-(4-chlorobenzyl)pyrazol-4-yl]-4-nitro-isoindoline-1,3-quinone Formula: C18H11ClN4O4 MolecularWeight: 382.75734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CN(N=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=CN(N=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H11ClN4O4/c19-12-6-4-11(5-7-12)9-21-10-13(8-20-21)22-17(24)14-2-1-3-15(23(26)27)16(14)18(22)25/h1-8,10H,9H2