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

Systemtic Name: ethyl 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonyl-(3-nitrobenzoyl)amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(2-methyl-5-nitrophenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[(2-methyl-5-nitro-phenyl)sulfonyl-(3-nitrobenzoyl)amino]benzofuran-3-carboxylic acid ethyl ester Formula: C26H21N3O10S MolecularWeight: 567.52404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C)C

InChI

InChI=1S/C26H21N3O10S/c1-4-38-26(31)24-16(3)39-22-11-10-18(13-21(22)24)27(25(30)17-6-5-7-19(12-17)28(32)33)40(36,37)23-14-20(29(34)35)9-8-15(23)2/h5-14H,4H2,1-3H3