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

Systemtic Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]urea Openeye Name: [(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]urea CAS Name: [(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]urea IUPAC Name: [(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]urea Traditional Name: [(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]urea Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3/c1-8(14-15-12(13)16)2-3-9-4-5-10-11(6-9)18-7-17-10/h4-6H,2-3,7H2,1H3,(H3,13,15,16)/b14-8+