methyl 2-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)phenyl]ethanoate Openeye Name: methyl 2-[4-(4-morpholinosulfonyl-2-nitro-phenoxy)phenyl]acetate CAS Name: 2-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]acetate Traditional Name: 2-[4-(4-morpholinosulfonyl-2-nitro-phenoxy)phenyl]acetic acid methyl ester Formula: C19H20N2O8S MolecularWeight: 436.4357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O8S/c1-27-19(22)12-14-2-4-15(5-3-14)29-18-7-6-16(13-17(18)21(23)24)30(25,26)20-8-10-28-11-9-20/h2-7,13H,8-12H2,1H3