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

Systemtic Name: ethyl 5-[(4-bromophenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(4-bromophenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-bromophenyl)sulfonyl-(3-nitrobenzoyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl-(3-nitrobenzoyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C25H19BrN2O8S MolecularWeight: 587.39596

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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=CC=C(C=C4)Br)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=CC=C(C=C4)Br)C

InChI

InChI=1S/C25H19BrN2O8S/c1-3-35-25(30)23-15(2)36-22-12-9-18(14-21(22)23)27(37(33,34)20-10-7-17(26)8-11-20)24(29)16-5-4-6-19(13-16)28(31)32/h4-14H,3H2,1-2H3