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

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]methanamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]formamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]formamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]formamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]formamide Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC=O)CCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C/C(=N\NC=O)/CCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H14N2O3/c1-9(14-13-7-15)2-3-10-4-5-11-12(6-10)17-8-16-11/h4-7H,2-3,8H2,1H3,(H,13,15)/b14-9+