N-(4,5-dimethyl-2-nitro-phenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)-(4,5-dimethyl-2-nitro-phenyl)amine Formula: C15H12N4O6S MolecularWeight: 376.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O6S/c1-8-5-12(13(19(22)23)6-9(8)2)16-15-11-4-3-10(18(20)21)7-14(11)26(24,25)17-15/h3-7H,1-2H3,(H,16,17)