N-(2-methyl-5-nitro-phenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(2-methyl-5-nitro-phenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-(2-methyl-5-nitrophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(2-methyl-5-nitrophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)-(2-methyl-5-nitro-phenyl)amine Formula: C14H10N4O6S MolecularWeight: 362.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O6S/c1-8-2-3-9(17(19)20)6-12(8)15-14-11-5-4-10(18(21)22)7-13(11)25(23,24)16-14/h2-7H,1H3,(H,15,16)