2-chloranyl-4-[(5-nitro-1-benzofuran-3-yl)carbonylamino]benzoic acid

Systemtic Name: 2-chloranyl-4-[(5-nitro-1-benzofuran-3-yl)carbonylamino]benzoic acid Openeye Name: 2-chloro-4-[(5-nitrobenzofuran-3-carbonyl)amino]benzoic acid CAS Name: 2-chloro-4-[[(5-nitro-3-benzofuranyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(5-nitro-1-benzofuran-3-carbonyl)amino]benzoic acid Traditional Name: 2-chloro-4-[(5-nitrobenzofuran-3-carbonyl)amino]benzoic acid Formula: C16H9ClN2O6 MolecularWeight: 360.70546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=COC3=C2C=C(C=C3)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=COC3=C2C=C(C=C3)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C16H9ClN2O6/c17-13-5-8(1-3-10(13)16(21)22)18-15(20)12-7-25-14-4-2-9(19(23)24)6-11(12)14/h1-7H,(H,18,20)(H,21,22)