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

Systemtic Name: 5-nitro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H17N5O7 MolecularWeight: 439.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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