3-[[4-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(4,5-dimethoxy-2-nitro-benzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(4,5-dimethoxy-2-nitro-benzoyl)amino]phenyl]sulfonylamino]propionic acid Formula: C18H19N3O9S MolecularWeight: 453.42316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19N3O9S/c1-29-15-9-13(14(21(25)26)10-16(15)30-2)18(24)20-11-3-5-12(6-4-11)31(27,28)19-8-7-17(22)23/h3-6,9-10,19H,7-8H2,1-2H3,(H,20,24)(H,22,23)