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

Systemtic Name: ethyl 5-[(4-chloranyl-3-nitro-phenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-chloro-3-nitro-phenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-3-nitrophenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(4-chloro-3-nitro-phenyl)sulfonyl-(4-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H18ClN3O10S MolecularWeight: 587.94252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18ClN3O10S/c1-3-38-25(31)23-14(2)39-22-11-8-17(12-19(22)23)27(24(30)15-4-6-16(7-5-15)28(32)33)40(36,37)18-9-10-20(26)21(13-18)29(34)35/h4-13H,3H2,1-2H3