N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3H-1,2-benzodioxole-5-carboxamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3H-1,2-benzodioxole-5-carboxamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3H-1,2-benzodioxole-5-carboxamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3H-1,2-benzodioxole-5-carboxamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3H-1,2-benzodioxole-5-carboxamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3H-1,2-benzodioxole-5-carboxamide Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC2=C(C=C1)OOC2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC2=C(C=C1)OOC2

InChI

InChI=1S/C16H19N3O4/c1-10(2)7-13(16(21)18-6-5-17)19-15(20)11-3-4-14-12(8-11)9-22-23-14/h3-4,8,10,13H,6-7,9H2,1-2H3,(H,18,21)(H,19,20)