5-acetamido-6,7-bis(chloranyl)-4-nitro-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-acetamido-6,7-bis(chloranyl)-4-nitro-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 5-acetamido-6,7-dichloro-4-nitro-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 5-acetamido-6,7-dichloro-4-nitro-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 5-acetamido-6,7-dichloro-4-nitro-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 5-acetamido-6,7-dichloro-4-nitro-coumaran-2-carboxylic acid Formula: C11H8Cl2N2O6 MolecularWeight: 335.09702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C2C(=C1[N+](=O)[O-])CC(O2)C(=O)O)Cl)Cl

Isomeric SMILES

CC(=O)NC1=C(C(=C2C(=C1[N+](=O)[O-])CC(O2)C(=O)O)Cl)Cl

InChI

InChI=1S/C11H8Cl2N2O6/c1-3(16)14-8-6(12)7(13)10-4(9(8)15(19)20)2-5(21-10)11(17)18/h5H,2H2,1H3,(H,14,16)(H,17,18)