2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-31-16-5-2-14(3-6-16)22-8-10-23(11-9-22)19(26)13-24-20(27)17-7-4-15(25(29)30)12-18(17)21(24)28/h2-7,12H,8-11,13H2,1H3