methyl (E)-3-[3-methoxy-4-(2-morpholin-4-ylsulfonyl-4-nitro-phenoxy)phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[3-methoxy-4-(2-morpholin-4-ylsulfonyl-4-nitro-phenoxy)phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[3-methoxy-4-(2-morpholinosulfonyl-4-nitro-phenoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[3-methoxy-4-[2-(4-morpholinylsulfonyl)-4-nitrophenoxy]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-methoxy-4-(2-morpholin-4-ylsulfonyl-4-nitrophenoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-methoxy-4-(2-morpholinosulfonyl-4-nitro-phenoxy)phenyl]acrylic acid methyl ester Formula: C21H22N2O9S MolecularWeight: 478.47238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H22N2O9S/c1-29-19-13-15(4-8-21(24)30-2)3-6-17(19)32-18-7-5-16(23(25)26)14-20(18)33(27,28)22-9-11-31-12-10-22/h3-8,13-14H,9-12H2,1-2H3/b8-4+