6,7-dimethoxy-3-[(4-nitrophenyl)methyl]-2H-1,3-benzothiazin-3-ium

Systemtic Name: 6,7-dimethoxy-3-[(4-nitrophenyl)methyl]-2H-1,3-benzothiazin-3-ium Openeye Name: 6,7-dimethoxy-3-[(4-nitrophenyl)methyl]-2H-1,3-benzothiazin-3-ium CAS Name: 6,7-dimethoxy-3-[(4-nitrophenyl)methyl]-2H-1,3-benzothiazin-3-ium IUPAC Name: 6,7-dimethoxy-3-[(4-nitrophenyl)methyl]-2H-1,3-benzothiazin-3-ium Traditional Name: 6,7-dimethoxy-3-(4-nitrobenzyl)-2H-1,3-benzothiazin-3-ium Formula: C17H17N2O4S+ MolecularWeight: 345.39288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=[N+](CS2)CC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=[N+](CS2)CC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17N2O4S/c1-22-15-7-13-10-18(11-24-17(13)8-16(15)23-2)9-12-3-5-14(6-4-12)19(20)21/h3-8,10H,9,11H2,1-2H3/q+1