1,4-bis(4-nitrophenyl)-2,3-bis[(4-nitrophenyl)carbonyl]but-2-ene-1,4-dione

Systemtic Name: 1,4-bis(4-nitrophenyl)-2,3-bis[(4-nitrophenyl)carbonyl]but-2-ene-1,4-dione Openeye Name: 2,3-bis(4-nitrobenzoyl)-1,4-bis(4-nitrophenyl)but-2-ene-1,4-dione CAS Name: 1,4-bis(4-nitrophenyl)-2,3-bis[(4-nitrophenyl)-oxomethyl]-2-butene-1,4-dione IUPAC Name: 2,3-bis(4-nitrobenzoyl)-1,4-bis(4-nitrophenyl)but-2-ene-1,4-dione Traditional Name: 2,3-bis(4-nitrobenzoyl)-1,4-bis(4-nitrophenyl)but-2-ene-1,4-dione Formula: C30H16N4O12 MolecularWeight: 624.46764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(=C(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(=C(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/C30H16N4O12/c35-27(17-1-9-21(10-2-17)31(39)40)25(28(36)18-3-11-22(12-4-18)32(41)42)26(29(37)19-5-13-23(14-6-19)33(43)44)30(38)20-7-15-24(16-8-20)34(45)46/h1-16H