methyl 2-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(7-chloro-1,3-benzodioxole-5-carbonyl)-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(7-chloro-1,3-benzodioxole-5-carbonyl)-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[(7-chloropiperonyloyl)-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C19H17ClN2O6 MolecularWeight: 404.80108

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C19H17ClN2O6/c1-22(18(24)11-7-13(20)17-15(8-11)27-10-28-17)9-16(23)21-14-6-4-3-5-12(14)19(25)26-2/h3-8H,9-10H2,1-2H3,(H,21,23)