(2S)-2-[(5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[(5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-isochromane-7-carbonyl)amino]pentanedioic acid CAS Name: (2S)-2-[[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]pentanedioic acid Traditional Name: (2S)-2-[(5-chloro-1-keto-3-methyl-isochroman-7-carbonyl)amino]glutaric acid Formula: C16H16ClNO7 MolecularWeight: 369.75374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2C(=O)O1)C(=O)NC(CCC(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1CC2=C(C=C(C=C2C(=O)O1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl

InChI

InChI=1S/C16H16ClNO7/c1-7-4-9-10(16(24)25-7)5-8(6-11(9)17)14(21)18-12(15(22)23)2-3-13(19)20/h5-7,12H,2-4H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t7?,12-/m0/s1