methyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: methyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonyl-(4-nitrobenzoyl)amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonyl-(4-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonyl-(4-nitrobenzoyl)amino]benzofuran-3-carboxylic acid methyl ester Formula: C25H19N3O10S MolecularWeight: 553.49746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C2=CC3=C(C=C2)OC(=C3C(=O)OC)C)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O10S/c1-14-4-10-19(13-21(14)28(33)34)39(35,36)26(24(29)16-5-7-17(8-6-16)27(31)32)18-9-11-22-20(12-18)23(15(2)38-22)25(30)37-3/h4-13H,1-3H3