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

Systemtic Name: 2-[[4-[(4,5-dimethoxy-2-nitro-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4,5-dimethoxy-2-nitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4,5-dimethoxy-2-nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4,5-dimethoxy-2-nitro-benzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C17H17N3O9S MolecularWeight: 439.39658

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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)NCC(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O9S/c1-28-14-7-12(13(20(24)25)8-15(14)29-2)17(23)19-10-3-5-11(6-4-10)30(26,27)18-9-16(21)22/h3-8,18H,9H2,1-2H3,(H,19,23)(H,21,22)