N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-(4-cyanophenoxy)propanamide

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-(4-cyanophenoxy)propanamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-2-(4-cyanophenoxy)propanamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-(4-cyanophenoxy)propanamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-2-(4-cyanophenoxy)propanamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-2-(4-cyanophenoxy)propionamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=C(C)CCC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)N/N=C(\C)/CCC1=CC2=C(C=C1)OCO2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O4/c1-14(3-4-16-7-10-19-20(11-16)27-13-26-19)23-24-21(25)15(2)28-18-8-5-17(12-22)6-9-18/h5-11,15H,3-4,13H2,1-2H3,(H,24,25)/b23-14+