3-[3-(8-methyl-7-oxidanylidene-3H-isochromen-8-yl)propanoylamino]-2,4-bis(oxidanyl)benzoic acid

Systemtic Name: 3-[3-(8-methyl-7-oxidanylidene-3H-isochromen-8-yl)propanoylamino]-2,4-bis(oxidanyl)benzoic acid Openeye Name: 2,4-dihydroxy-3-[3-(8-methyl-7-oxo-3H-isochromen-8-yl)propanoylamino]benzoic acid CAS Name: 2,4-dihydroxy-3-[[3-(8-methyl-7-oxo-3H-2-benzopyran-8-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2,4-dihydroxy-3-[3-(8-methyl-7-oxo-3H-isochromen-8-yl)propanoylamino]benzoic acid Traditional Name: 2,4-dihydroxy-3-[3-(7-keto-8-methyl-3H-isochromen-8-yl)propanoylamino]benzoic acid Formula: C20H19NO7 MolecularWeight: 385.36736

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=CC2=CCOC=C21)CCC(=O)NC3=C(C=CC(=C3O)C(=O)O)O

Isomeric SMILES

CC1(C(=O)C=CC2=CCOC=C21)CCC(=O)NC3=C(C=CC(=C3O)C(=O)O)O

InChI

InChI=1S/C20H19NO7/c1-20(13-10-28-9-7-11(13)2-5-15(20)23)8-6-16(24)21-17-14(22)4-3-12(18(17)25)19(26)27/h2-5,7,10,22,25H,6,8-9H2,1H3,(H,21,24)(H,26,27)