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

Systemtic Name: 2-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[1-(2,4-dichlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-4-nitro-isoindoline-1,3-quinone Formula: C20H14Cl2N4O4 MolecularWeight: 445.25556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=C(C=C2)Cl)Cl)C)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14Cl2N4O4/c1-10-18(11(2)24(23-10)9-12-6-7-13(21)8-15(12)22)25-19(27)14-4-3-5-16(26(29)30)17(14)20(25)28/h3-8H,9H2,1-2H3