[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H18ClNO7 MolecularWeight: 407.80172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3)Cl)O

InChI

InChI=1S/C19H18ClNO7/c1-3-25-16-7-11(6-13(20)17(16)22)19(24)28-10(2)18(23)21-12-4-5-14-15(8-12)27-9-26-14/h4-8,10,22H,3,9H2,1-2H3,(H,21,23)/t10-/m1/s1