3-[4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]phenyl]propionic acid Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O7S/c1-25-15-8-5-12(18(21)22)10-14(15)17-26(23,24)13-6-2-11(3-7-13)4-9-16(19)20/h2-3,5-8,10,17H,4,9H2,1H3,(H,19,20)