2-oxidanyl-4-[[(3S)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[[(3S)-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzoic acid Openeye Name: 2-hydroxy-4-[[(3S)-1-oxoisochromane-3-carbonyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[oxo-[(3S)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]methyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[(3S)-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[(3S)-1-ketoisochroman-3-carbonyl]amino]benzoic acid Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C17H13NO6/c19-13-8-10(5-6-12(13)16(21)22)18-15(20)14-7-9-3-1-2-4-11(9)17(23)24-14/h1-6,8,14,19H,7H2,(H,18,20)(H,21,22)/t14-/m0/s1