2-[[(3R)-7-chloranyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]-3-methyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C2CC3=C(C=C(C=C3)Cl)C(=O)O2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)[C@H]2CC3=C(C=C(C=C3)Cl)C(=O)O2)C(=O)O

InChI

InChI=1S/C18H14ClNO5/c1-9-3-2-4-12(17(22)23)15(9)20-16(21)14-7-10-5-6-11(19)8-13(10)18(24)25-14/h2-6,8,14H,7H2,1H3,(H,20,21)(H,22,23)/t14-/m1/s1