N-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-ethynyl-aniline

Systemtic Name: N-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-ethynyl-aniline Openeye Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-ethynyl-aniline CAS Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-ethynylaniline IUPAC Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-ethynylaniline Traditional Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-(3-ethynylphenyl)amine Formula: C17H14ClNO2 MolecularWeight: 299.75156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

C#CC1=CC(=CC=C1)NCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C17H14ClNO2/c1-2-12-4-3-5-14(8-12)19-11-13-9-15(18)17-16(10-13)20-6-7-21-17/h1,3-5,8-10,19H,6-7,11H2