4-[[4-[1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-[1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl]oxy-3-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[2-(2-methoxyethylamino)-1-methyl-2-oxo-ethoxy]-3-nitro-phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxy-3-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxy-3-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[2-keto-2-(2-methoxyethylamino)-1-methyl-ethoxy]-3-nitro-phenyl]sulfonylamino]benzoic acid Formula: C19H21N3O9S MolecularWeight: 467.44974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC)OC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCOC)OC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O9S/c1-12(18(23)20-9-10-30-2)31-17-8-7-15(11-16(17)22(26)27)32(28,29)21-14-5-3-13(4-6-14)19(24)25/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,23)(H,24,25)