3-[[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]benzoic acid

Systemtic Name: 3-[[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]amino]benzoic acid Openeye Name: 3-[[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]benzoic acid CAS Name: 3-[[(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]amino]benzoic acid IUPAC Name: 3-[[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]benzoic acid Traditional Name: 3-[[(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]amino]benzoic acid Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NC3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C17H15NO6/c1-22-12-7-6-11-13(14(12)23-2)17(21)24-15(11)18-10-5-3-4-9(8-10)16(19)20/h3-8,15,18H,1-2H3,(H,19,20)/t15-/m0/s1