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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1Br)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CC=C1Br)/CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17BrN2O3/c1-12(20-21-18(22)14-4-2-3-5-15(14)19)6-7-13-8-9-16-17(10-13)24-11-23-16/h2-5,8-10H,6-7,11H2,1H3,(H,21,22)/b20-12+