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

Systemtic Name: (2S)-2-[(5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[(5-chloro-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-hydroxy-propionic acid Formula: C14H14ClNO6 MolecularWeight: 327.71706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO6/c1-6-2-8-9(14(21)22-6)3-7(4-10(8)15)12(18)16-11(5-17)13(19)20/h3-4,6,11,17H,2,5H2,1H3,(H,16,18)(H,19,20)/t6?,11-/m0/s1