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

Systemtic Name: 2-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-4-nitro-isoindoline-1,3-quinone Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O4/c1-12-18(13(2)22(21-12)11-14-7-4-3-5-8-14)23-19(25)15-9-6-10-16(24(27)28)17(15)20(23)26/h3-10H,11H2,1-2H3