4-nitro-2-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(6-nitro-3-pyridyl)piperazino]ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H16N6O7 MolecularWeight: 440.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O7/c26-16(11-23-18(27)13-2-1-3-14(24(29)30)17(13)19(23)28)22-8-6-21(7-9-22)12-4-5-15(20-10-12)25(31)32/h1-5,10H,6-9,11H2