N-tert-butyl-N'-[4-(1-oxidanylprop-2-ynyl)phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N-tert-butyl-N'-[4-(1-oxidanylprop-2-ynyl)phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide Openeye Name: N-tert-butyl-N'-[4-(1-hydroxyprop-2-ynyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide CAS Name: N-tert-butyl-N'-[[4-(1-hydroxyprop-2-ynyl)phenyl]-oxomethyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N-tert-butyl-N'-[4-(1-hydroxyprop-2-ynyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide Traditional Name: N-tert-butyl-N'-[4-(1-hydroxyprop-2-ynyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)C(C#C)O

Isomeric SMILES

CC(C)(C)N(C(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)C(C#C)O

InChI

InChI=1S/C22H22N2O5/c1-5-17(25)14-6-8-15(9-7-14)20(26)23-24(22(2,3)4)21(27)16-10-11-18-19(12-16)29-13-28-18/h1,6-12,17,25H,13H2,2-4H3,(H,23,26)