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

Systemtic Name: N-(2-butoxyphenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(2-butoxyphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-(2-butoxyphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(2-butoxyphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (2-butoxyphenyl)-(1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)amine Formula: C17H17N3O5S MolecularWeight: 375.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC=C1NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-2-3-10-25-15-7-5-4-6-14(15)18-17-13-9-8-12(20(21)22)11-16(13)26(23,24)19-17/h4-9,11H,2-3,10H2,1H3,(H,18,19)