methyl 2-methyl-5-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)methyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[(4-morpholinosulfonyl-2-nitro-phenoxy)methyl]furan-3-carboxylic acid methyl ester Formula: C18H20N2O9S MolecularWeight: 440.4244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H20N2O9S/c1-12-15(18(21)26-2)9-13(29-12)11-28-17-4-3-14(10-16(17)20(22)23)30(24,25)19-5-7-27-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3