4,5-dimethoxy-2-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzoic acid Openeye Name: 2-[(5-hydroxy-5-oxo-pentanoyl)amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[(5-hydroxy-1,5-dioxopentyl)amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[(5-hydroxy-5-oxopentanoyl)amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[(5-hydroxy-5-keto-pentanoyl)amino]-4,5-dimethoxy-benzoic acid Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CCCC(=O)O)OC

InChI

InChI=1S/C14H17NO7/c1-21-10-6-8(14(19)20)9(7-11(10)22-2)15-12(16)4-3-5-13(17)18/h6-7H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)