(E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3,4-dimethoxy-5-[(2-methoxy-5-nitro-phenyl)sulfamoyl]phenyl]acrylic acid Formula: C18H18N2O9S MolecularWeight: 438.40852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=CC(=C2OC)OC)C=CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=CC(=C2OC)OC)/C=C/C(=O)O

InChI

InChI=1S/C18H18N2O9S/c1-27-14-6-5-12(20(23)24)10-13(14)19-30(25,26)16-9-11(4-7-17(21)22)8-15(28-2)18(16)29-3/h4-10,19H,1-3H3,(H,21,22)/b7-4+