3-[2-(4-hydroxyiminopiperidin-1-yl)-2-oxidanylidene-ethyl]-2-(4-methoxyphenyl)-5-nitro-3H-isoindol-1-one

Systemtic Name: 3-[2-(4-hydroxyiminopiperidin-1-yl)-2-oxidanylidene-ethyl]-2-(4-methoxyphenyl)-5-nitro-3H-isoindol-1-one Openeye Name: 3-[2-(4-hydroxyimino-1-piperidyl)-2-oxo-ethyl]-2-(4-methoxyphenyl)-5-nitro-isoindolin-1-one CAS Name: 3-[2-(4-hydroxyimino-1-piperidinyl)-2-oxoethyl]-2-(4-methoxyphenyl)-5-nitro-3H-isoindol-1-one IUPAC Name: 3-[2-(4-hydroxyiminopiperidin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-5-nitro-3H-isoindol-1-one Traditional Name: 3-[2-(4-hydroximinopiperidino)-2-keto-ethyl]-2-(4-methoxyphenyl)-5-nitro-isoindolin-1-one Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)[N+](=O)[O-])CC(=O)N4CCC(=NO)CC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(C3=C(C2=O)C=CC(=C3)[N+](=O)[O-])CC(=O)N4CCC(=NO)CC4

InChI

InChI=1S/C22H22N4O6/c1-32-17-5-2-15(3-6-17)25-20(13-21(27)24-10-8-14(23-29)9-11-24)19-12-16(26(30)31)4-7-18(19)22(25)28/h2-7,12,20,29H,8-11,13H2,1H3