[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C20H18ClNO8 MolecularWeight: 435.81182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3)Cl)O

InChI

InChI=1S/C20H18ClNO8/c1-3-27-17-5-11(4-13(21)19(17)25)20(26)28-8-18(24)22-14-7-16-15(29-9-30-16)6-12(14)10(2)23/h4-7,25H,3,8-9H2,1-2H3,(H,22,24)