2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethoxy]ethanoic acid

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethoxy]ethanoic acid Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethoxy]acetic acid CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]acetic acid IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]acetic acid Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethoxy]acetic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COCC(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COCC(=O)O)OC1

InChI

InChI=1S/C13H15NO6/c15-12(7-18-8-13(16)17)14-9-2-3-10-11(6-9)20-5-1-4-19-10/h2-3,6H,1,4-5,7-8H2,(H,14,15)(H,16,17)