8-(4-chlorophenyl)carbonyl-2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Systemtic Name: 8-(4-chlorophenyl)carbonyl-2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Openeye Name: 8-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone CAS Name: 8-[(4-chlorophenyl)-oxomethyl]-2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone IUPAC Name: 8-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone Traditional Name: 8-(4-chlorobenzoyl)-2,6-bis(3-nitrophenyl)pyrrol[3,4-f]isoindole-1,3,5,7-diquinone Formula: C29H13ClN4O9 MolecularWeight: 596.88792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=CC4=C(C(=C3C2=O)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=O)C3=CC4=C(C(=C3C2=O)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H13ClN4O9/c30-15-9-7-14(8-10-15)25(35)24-22-20(26(36)31(28(22)38)16-3-1-5-18(11-16)33(40)41)13-21-23(24)29(39)32(27(21)37)17-4-2-6-19(12-17)34(42)43/h1-13H