5-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)carbonyl-hydrazinyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorophenyl)carbonyl-hydrazinyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorobenzoyl)hydrazino]-5-oxo-pentanoic acid CAS Name: 5-[2-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)-oxomethyl]hydrazinyl]-5-oxopentanoic acid IUPAC Name: 5-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-chlorobenzoyl)hydrazinyl]-5-oxopentanoic acid Traditional Name: 5-[N'-(3-chlorobenzoyl)-N'-piperonyl-hydrazino]-5-keto-valeric acid Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(C(=O)C3=CC(=CC=C3)Cl)NC(=O)CCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(C(=O)C3=CC(=CC=C3)Cl)NC(=O)CCCC(=O)O

InChI

InChI=1S/C20H19ClN2O6/c21-15-4-1-3-14(10-15)20(27)23(22-18(24)5-2-6-19(25)26)11-13-7-8-16-17(9-13)29-12-28-16/h1,3-4,7-10H,2,5-6,11-12H2,(H,22,24)(H,25,26)