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

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(4-chloro-2-nitro-phenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-(4-chloro-2-nitrophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(4-chloro-2-nitrophenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (4-chloro-2-nitro-phenyl)-(1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)amine Formula: C13H7ClN4O6S MolecularWeight: 382.73588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])S(=O)(=O)N=C2NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])S(=O)(=O)N=C2NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H7ClN4O6S/c14-7-1-4-10(11(5-7)18(21)22)15-13-9-3-2-8(17(19)20)6-12(9)25(23,24)16-13/h1-6H,(H,15,16)