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

Systemtic Name: 2-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]-4-nitro-isoindoline-1,3-quinone Formula: C18H10BrClN4O4 MolecularWeight: 461.6534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=NN(C=C3Br)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=NN(C=C3Br)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H10BrClN4O4/c19-13-9-22(8-10-4-6-11(20)7-5-10)21-16(13)23-17(25)12-2-1-3-14(24(27)28)15(12)18(23)26/h1-7,9H,8H2