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

Systemtic Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N4O5/c1-14-5-3-7-17(15(14)2)23-9-11-24(12-10-23)19(27)13-25-21(28)16-6-4-8-18(26(30)31)20(16)22(25)29/h3-8H,9-13H2,1-2H3