2-(1-ethylpiperidin-4-yl)-5-nitro-isoindole-1,3-dione hydrochloride

Systemtic Name: 2-(1-ethylpiperidin-4-yl)-5-nitro-isoindole-1,3-dione hydrochloride Openeye Name: 2-(1-ethyl-4-piperidyl)-5-nitro-isoindoline-1,3-dione hydrochloride CAS Name: 2-(1-ethyl-4-piperidinyl)-5-nitroisoindole-1,3-dione hydrochloride IUPAC Name: 2-(1-ethylpiperidin-4-yl)-5-nitroisoindole-1,3-dione hydrochloride Traditional Name: 2-(1-ethyl-4-piperidyl)-5-nitro-isoindoline-1,3-quinone hydrochloride Formula: C15H18ClN3O4 MolecularWeight: 339.77412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CCN1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H17N3O4.ClH/c1-2-16-7-5-10(6-8-16)17-14(19)12-4-3-11(18(21)22)9-13(12)15(17)20;/h3-4,9-10H,2,5-8H2,1H3;1H