5-nitro-2-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenoxy-phenyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenoxy-phenyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-3-phenoxy-phenyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[2-(5-nitro-1,3-dioxo-2-isoindolyl)-3-phenoxyphenyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[2-(5-nitro-1,3-dioxoisoindol-2-yl)-3-phenoxyphenyl]isoindole-1,3-dione Traditional Name: 2-[2-(1,3-diketo-5-nitro-isoindolin-2-yl)-3-phenoxy-phenyl]-5-nitro-isoindoline-1,3-quinone Formula: C28H14N4O9 MolecularWeight: 550.43216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N5C(=O)C6=C(C5=O)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N5C(=O)C6=C(C5=O)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H14N4O9/c33-25-18-11-9-15(31(37)38)13-20(18)27(35)29(25)22-7-4-8-23(41-17-5-2-1-3-6-17)24(22)30-26(34)19-12-10-16(32(39)40)14-21(19)28(30)36/h1-14H