2-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidyl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-[2-(3,5-dimethoxyphenyl)ethyl]-1-piperidinyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC2CCN(CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC2CCN(CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C24H27N3O6/c1-32-18-12-17(13-19(14-18)33-2)7-6-16-8-10-25(11-9-16)15-26-23(28)20-4-3-5-21(27(30)31)22(20)24(26)29/h3-5,12-14,16H,6-11,15H2,1-2H3