N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-2-fluoranyl-benzamide

Systemtic Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-2-fluoranyl-benzamide Openeye Name: N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]-2-fluoro-benzamide CAS Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-2-fluorobenzamide IUPAC Name: N-[(E)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-2-fluorobenzamide Traditional Name: N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]-2-fluoro-benzamide Formula: C18H15FN2O3 MolecularWeight: 326.321703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1F)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CC=C1F)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H15FN2O3/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/h2-10H,11H2,1H3,(H,21,22)/b7-6+,20-12+