ethyl 5-(2,4-dinitrophenyl)carbonyloxy-2-phenyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 5-(2,4-dinitrophenyl)carbonyloxy-2-phenyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-(2,4-dinitrobenzoyl)oxy-2-phenyl-benzo[g]benzofuran-3-carboxylate CAS Name: 5-[(2,4-dinitrophenyl)-oxomethoxy]-2-phenyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,4-dinitrobenzoyl)oxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-(2,4-dinitrobenzoyl)oxy-2-phenyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C28H18N2O9 MolecularWeight: 526.45052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H18N2O9/c1-2-37-28(32)24-21-15-23(38-27(31)20-13-12-17(29(33)34)14-22(20)30(35)36)18-10-6-7-11-19(18)26(21)39-25(24)16-8-4-3-5-9-16/h3-15H,2H2,1H3