[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)phenyl] thiocyanate

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)phenyl] thiocyanate Openeye Name: [4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]phenyl] ester IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)phenyl] ester Formula: C16H12N2O3S MolecularWeight: 312.34308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C16H12N2O3S/c17-10-22-13-4-2-12(3-5-13)18-16(19)11-1-6-14-15(9-11)21-8-7-20-14/h1-6,9H,7-8H2,(H,18,19)