4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloranyl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloro-anilino]-4-oxo-butanoic acid CAS Name: 4-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-chloroanilino]-4-oxobutanoic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-chloroanilino]-4-oxobutanoic acid Traditional Name: 4-[4-chloro-2-(piperonylcarbamoyl)anilino]-4-keto-butyric acid Formula: C19H17ClN2O6 MolecularWeight: 404.80108

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)Cl)NC(=O)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC(=C3)Cl)NC(=O)CCC(=O)O

InChI

InChI=1S/C19H17ClN2O6/c20-12-2-3-14(22-17(23)5-6-18(24)25)13(8-12)19(26)21-9-11-1-4-15-16(7-11)28-10-27-15/h1-4,7-8H,5-6,9-10H2,(H,21,26)(H,22,23)(H,24,25)