4-nitro-2-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-diphenyl-methyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-diphenyl-methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[(4-nitro-1,3-dioxo-isoindolin-2-yl)-diphenyl-methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[(4-nitro-1,3-dioxo-2-isoindolyl)-diphenylmethyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[(4-nitro-1,3-dioxoisoindol-2-yl)-diphenylmethyl]isoindole-1,3-dione Traditional Name: 2-[(1,3-diketo-4-nitro-isoindolin-2-yl)-diphenyl-methyl]-4-nitro-isoindoline-1,3-quinone Formula: C29H16N4O8 MolecularWeight: 548.45934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])N5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])N5C(=O)C6=C(C5=O)C(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H16N4O8/c34-25-19-13-7-15-21(32(38)39)23(19)27(36)30(25)29(17-9-3-1-4-10-17,18-11-5-2-6-12-18)31-26(35)20-14-8-16-22(33(40)41)24(20)28(31)37/h1-16H