2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-6-nitro-isoindole-1,3-dione

Systemtic Name: 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-6-nitro-isoindole-1,3-dione Openeye Name: 5-(4-methyl-1-piperidyl)-6-nitro-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 2-(4-methylphenyl)-5-(4-methyl-1-piperidinyl)-6-nitroisoindole-1,3-dione IUPAC Name: 2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-6-nitroisoindole-1,3-dione Traditional Name: 5-(4-methylpiperidino)-6-nitro-2-(p-tolyl)isoindoline-1,3-quinone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-13-3-5-15(6-4-13)23-20(25)16-11-18(22-9-7-14(2)8-10-22)19(24(27)28)12-17(16)21(23)26/h3-6,11-12,14H,7-10H2,1-2H3