1,5-bis(4-nitrophenyl)-2,4-bis[(4-nitrophenyl)carbonyl]pentane-1,5-dione

Systemtic Name: 1,5-bis(4-nitrophenyl)-2,4-bis[(4-nitrophenyl)carbonyl]pentane-1,5-dione Openeye Name: 2,4-bis(4-nitrobenzoyl)-1,5-bis(4-nitrophenyl)pentane-1,5-dione CAS Name: 1,5-bis(4-nitrophenyl)-2,4-bis[(4-nitrophenyl)-oxomethyl]pentane-1,5-dione IUPAC Name: 2,4-bis(4-nitrobenzoyl)-1,5-bis(4-nitrophenyl)pentane-1,5-dione Traditional Name: 2,4-bis(4-nitrobenzoyl)-1,5-bis(4-nitrophenyl)pentane-1,5-dione Formula: C31H20N4O12 MolecularWeight: 640.5101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(CC(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(CC(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C31H20N4O12/c36-28(18-1-9-22(10-2-18)32(40)41)26(29(37)19-3-11-23(12-4-19)33(42)43)17-27(30(38)20-5-13-24(14-6-20)34(44)45)31(39)21-7-15-25(16-8-21)35(46)47/h1-16,26-27H,17H2