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

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-bromanyl-benzamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-4-bromo-benzamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-bromobenzamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-4-bromobenzamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-4-bromo-benzamide Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)Br)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=C(C=C1)Br)/CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17BrN2O3/c1-12(20-21-18(22)14-5-7-15(19)8-6-14)2-3-13-4-9-16-17(10-13)24-11-23-16/h4-10H,2-3,11H2,1H3,(H,21,22)/b20-12+