3-[[1,4-dimethoxy-1,4-bis(oxidanylidene)butan-2-yl]amino]benzoic acid

Systemtic Name: 3-[[1,4-dimethoxy-1,4-bis(oxidanylidene)butan-2-yl]amino]benzoic acid Openeye Name: 3-[(3-methoxy-1-methoxycarbonyl-3-oxo-propyl)amino]benzoic acid CAS Name: 3-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]benzoic acid IUPAC Name: 3-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)amino]benzoic acid Traditional Name: 3-[(1-carbomethoxy-3-keto-3-methoxy-propyl)amino]benzoic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

COC(=O)CC(C(=O)OC)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C13H15NO6/c1-19-11(15)7-10(13(18)20-2)14-9-5-3-4-8(6-9)12(16)17/h3-6,10,14H,7H2,1-2H3,(H,16,17)