2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H19N3O5/c1-10-5-11(2)8-18(7-10)15(21)9-19-16(22)13-4-3-12(20(24)25)6-14(13)17(19)23/h3-4,6,10-11H,5,7-9H2,1-2H3