(2R)-2-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoate

Systemtic Name: (2R)-2-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoate Openeye Name: (2R)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]propanoate CAS Name: (2R)-2-[[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]propanoate IUPAC Name: (2R)-2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoate Traditional Name: (2R)-2-[3-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]propionate Formula: C16H15ClNO6- MolecularWeight: 352.7464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)NC(C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)N[C@H](C)C(=O)[O-]

InChI

InChI=1S/C16H16ClNO6/c1-7-9(3-4-14(20)18-8(2)15(21)22)16(23)24-13-6-12(19)11(17)5-10(7)13/h5-6,8,19H,3-4H2,1-2H3,(H,18,20)(H,21,22)/p-1/t8-/m1/s1