4-[[(3R)-6-chloranyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(3R)-6-chloranyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(3R)-6-chloro-1-oxo-isochromane-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[(3R)-6-chloro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(3R)-6-chloro-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[(3R)-6-chloro-1-keto-isochroman-3-carbonyl]amino]benzoic acid Formula: C17H12ClNO5 MolecularWeight: 345.73388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H](OC(=O)C2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H12ClNO5/c18-11-3-6-13-10(7-11)8-14(24-17(13)23)15(20)19-12-4-1-9(2-5-12)16(21)22/h1-7,14H,8H2,(H,19,20)(H,21,22)/t14-/m1/s1