[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 2,3,6-tris(chloranyl)benzoate

Systemtic Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 2,3,6-tris(chloranyl)benzoate Openeye Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxo-ethyl] 2,3,6-trichlorobenzoate CAS Name: 2,3,6-trichlorobenzoic acid [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 2,3,6-trichlorobenzoate Traditional Name: 2,3,6-trichlorobenzoic acid [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H14Cl3NO5 MolecularWeight: 430.66646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=C(C=CC(=C3Cl)Cl)Cl

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=C(C=CC(=C3Cl)Cl)Cl

InChI

InChI=1S/C18H14Cl3NO5/c1-9(10-2-5-13-14(6-10)27-8-26-13)22-15(23)7-25-18(24)16-11(19)3-4-12(20)17(16)21/h2-6,9H,7-8H2,1H3,(H,22,23)/t9-/m1/s1