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

Systemtic Name: N-(2-ethylphenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(2-ethylphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-(2-ethylphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(2-ethylphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)-(2-ethylphenyl)amine Formula: C15H13N3O4S MolecularWeight: 331.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c1-2-10-5-3-4-6-13(10)16-15-12-8-7-11(18(19)20)9-14(12)23(21,22)17-15/h3-9H,2H2,1H3,(H,16,17)