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

Systemtic Name: methyl 2-methyl-5-[(3-nitrophenyl)carbonyl-(3-nitrophenyl)sulfonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: methyl 2-methyl-5-[(3-nitrobenzoyl)-(3-nitrophenyl)sulfonyl-amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[[(3-nitrophenyl)-oxomethyl]-(3-nitrophenyl)sulfonylamino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(3-nitrobenzoyl)-(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(3-nitrobenzoyl)-(3-nitrophenyl)sulfonyl-amino]benzofuran-3-carboxylic acid methyl ester Formula: C24H17N3O10S MolecularWeight: 539.47088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C24H17N3O10S/c1-14-22(24(29)36-2)20-13-16(9-10-21(20)37-14)25(23(28)15-5-3-6-17(11-15)26(30)31)38(34,35)19-8-4-7-18(12-19)27(32)33/h3-13H,1-2H3