2-[[4-[[4-(dimethylamino)-3-nitro-phenyl]carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[[4-(dimethylamino)-3-nitro-phenyl]carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[4-(dimethylamino)-3-nitro-benzoyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[4-(dimethylamino)-3-nitrobenzoyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[4-(dimethylamino)-3-nitro-benzoyl]amino]phenyl]sulfonylamino]acetic acid Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S/c1-20(2)14-8-3-11(9-15(14)21(25)26)17(24)19-12-4-6-13(7-5-12)29(27,28)18-10-16(22)23/h3-9,18H,10H2,1-2H3,(H,19,24)(H,22,23)