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

Systemtic Name: (2S)-2-[(5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-isochromane-7-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(5-chloro-1-keto-3-methyl-isochroman-7-carbonyl)amino]propionic acid Formula: C14H14ClNO5 MolecularWeight: 311.71766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO5/c1-6-3-9-10(14(20)21-6)4-8(5-11(9)15)12(17)16-7(2)13(18)19/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19)/t6?,7-/m0/s1