N-(3-methoxyphenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(3-methoxyphenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(3-methoxyphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-(3-methoxyphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(3-methoxyphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)-(3-methoxyphenyl)amine Formula: C14H11N3O5S MolecularWeight: 333.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5S/c1-22-11-4-2-3-9(7-11)15-14-12-6-5-10(17(18)19)8-13(12)23(20,21)16-14/h2-8H,1H3,(H,15,16)