4-[[(3R)-7-chloranyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(3R)-7-chloranyl-3-methyl-1-oxidanylidene-4H-isochromen-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(3R)-7-chloro-3-methyl-1-oxo-isochromane-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[(3R)-7-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(3R)-7-chloro-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[(3R)-7-chloro-1-keto-3-methyl-isochroman-3-carbonyl]amino]benzoic acid Formula: C18H14ClNO5 MolecularWeight: 359.76046

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)Cl)C(=O)O1)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C[C@@]1(CC2=C(C=C(C=C2)Cl)C(=O)O1)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H14ClNO5/c1-18(9-11-2-5-12(19)8-14(11)16(23)25-18)17(24)20-13-6-3-10(4-7-13)15(21)22/h2-8H,9H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1