2-[2-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[3-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[3-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[3-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]acetyl]amino]acetic acid Formula: C17H17ClN2O7 MolecularWeight: 396.77908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C17H17ClN2O7/c1-8-9(2-3-14(22)19-6-15(23)20-7-16(24)25)17(26)27-13-5-12(21)11(18)4-10(8)13/h4-5,21H,2-3,6-7H2,1H3,(H,19,22)(H,20,23)(H,24,25)