2-[(2-ethyl-5-nitro-1-benzofuran-3-yl)sulfonylamino]ethanoic acid

Systemtic Name: 2-[(2-ethyl-5-nitro-1-benzofuran-3-yl)sulfonylamino]ethanoic acid Openeye Name: 2-[(2-ethyl-5-nitro-benzofuran-3-yl)sulfonylamino]acetic acid CAS Name: 2-[(2-ethyl-5-nitro-3-benzofuranyl)sulfonylamino]acetic acid IUPAC Name: 2-[(2-ethyl-5-nitro-1-benzofuran-3-yl)sulfonylamino]acetic acid Traditional Name: 2-[(2-ethyl-5-nitro-benzofuran-3-yl)sulfonylamino]acetic acid Formula: C12H12N2O7S MolecularWeight: 328.29788

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])S(=O)(=O)NCC(=O)O

Isomeric SMILES

CCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C12H12N2O7S/c1-2-9-12(22(19,20)13-6-11(15)16)8-5-7(14(17)18)3-4-10(8)21-9/h3-5,13H,2,6H2,1H3,(H,15,16)