2-[[2-ethanoyl-7-[(4-nitrophenyl)methoxy]-1-benzofuran-4-yl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[2-ethanoyl-7-[(4-nitrophenyl)methoxy]-1-benzofuran-4-yl]sulfonylamino]ethanoic acid Openeye Name: 2-[[2-acetyl-7-[(4-nitrophenyl)methoxy]benzofuran-4-yl]sulfonylamino]acetic acid CAS Name: 2-[[2-acetyl-7-[(4-nitrophenyl)methoxy]-4-benzofuranyl]sulfonylamino]acetic acid IUPAC Name: 2-[[2-acetyl-7-[(4-nitrophenyl)methoxy]-1-benzofuran-4-yl]sulfonylamino]acetic acid Traditional Name: 2-[[2-acetyl-7-(4-nitrobenzyl)oxy-benzofuran-4-yl]sulfonylamino]acetic acid Formula: C19H16N2O9S MolecularWeight: 448.40334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=CC(=C2O1)OCC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)NCC(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=CC(=C2O1)OCC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C19H16N2O9S/c1-11(22)16-8-14-17(31(27,28)20-9-18(23)24)7-6-15(19(14)30-16)29-10-12-2-4-13(5-3-12)21(25)26/h2-8,20H,9-10H2,1H3,(H,23,24)