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

Systemtic Name: 4-nitro-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(2-nitrophenyl)piperazino]ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H17N5O7 MolecularWeight: 439.37828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O7/c26-17(12-23-19(27)13-4-3-7-16(25(31)32)18(13)20(23)28)22-10-8-21(9-11-22)14-5-1-2-6-15(14)24(29)30/h1-7H,8-12H2