2-[2-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethoxy]ethanoic acid

Systemtic Name: 2-[2-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethoxy]ethanoic acid Openeye Name: 2-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethoxy]acetic acid CAS Name: 2-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethoxy]acetic acid IUPAC Name: 2-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethoxy]acetic acid Traditional Name: 2-[2-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-keto-ethoxy]acetic acid Formula: C13H14ClNO6 MolecularWeight: 315.70636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO6/c14-8-4-10-11(21-3-1-2-20-10)5-9(8)15-12(16)6-19-7-13(17)18/h4-5H,1-3,6-7H2,(H,15,16)(H,17,18)