5-(3,5-dimethylpiperidin-1-yl)-6-nitro-2-phenyl-isoindole-1,3-dione

Systemtic Name: 5-(3,5-dimethylpiperidin-1-yl)-6-nitro-2-phenyl-isoindole-1,3-dione Openeye Name: 5-(3,5-dimethyl-1-piperidyl)-6-nitro-2-phenyl-isoindoline-1,3-dione CAS Name: 5-(3,5-dimethyl-1-piperidinyl)-6-nitro-2-phenylisoindole-1,3-dione IUPAC Name: 5-(3,5-dimethylpiperidin-1-yl)-6-nitro-2-phenylisoindole-1,3-dione Traditional Name: 5-(3,5-dimethylpiperidino)-6-nitro-2-phenyl-isoindoline-1,3-quinone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C3C(=C2)C(=O)N(C3=O)C4=CC=CC=C4)[N+](=O)[O-])C

InChI

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