5,6,7-trimethoxy-2-(2-methyl-3-nitro-phenyl)-1,3-benzothiazole

Systemtic Name: 5,6,7-trimethoxy-2-(2-methyl-3-nitro-phenyl)-1,3-benzothiazole Openeye Name: 5,6,7-trimethoxy-2-(2-methyl-3-nitro-phenyl)-1,3-benzothiazole CAS Name: 5,6,7-trimethoxy-2-(2-methyl-3-nitrophenyl)-1,3-benzothiazole IUPAC Name: 5,6,7-trimethoxy-2-(2-methyl-3-nitrophenyl)-1,3-benzothiazole Traditional Name: 5,6,7-trimethoxy-2-(2-methyl-3-nitro-phenyl)-1,3-benzothiazole Formula: C17H16N2O5S MolecularWeight: 360.38434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C2=NC3=CC(=C(C(=C3S2)OC)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C2=NC3=CC(=C(C(=C3S2)OC)OC)OC

InChI

InChI=1S/C17H16N2O5S/c1-9-10(6-5-7-12(9)19(20)21)17-18-11-8-13(22-2)14(23-3)15(24-4)16(11)25-17/h5-8H,1-4H3