4-[(2,3-dihydro-1,4-dioxin-5-ylcarbonylamino)methyl]benzoic acid

Systemtic Name: 4-[(2,3-dihydro-1,4-dioxin-5-ylcarbonylamino)methyl]benzoic acid Openeye Name: 4-[(2,3-dihydro-1,4-dioxine-5-carbonylamino)methyl]benzoic acid CAS Name: 4-[[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[(2,3-dihydro-1,4-dioxine-5-carbonylamino)methyl]benzoic acid Traditional Name: 4-[(2,3-dihydro-p-dioxin-5-carbonylamino)methyl]benzoic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=CO1)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1COC(=CO1)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13NO5/c15-12(11-8-18-5-6-19-11)14-7-9-1-3-10(4-2-9)13(16)17/h1-4,8H,5-7H2,(H,14,15)(H,16,17)