N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[(E)-(5-nitro-2-furyl)methyleneamino]-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[(E)-(5-nitro-2-furanyl)methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-1,2-benzothiazol-3-yl)-[(E)-(5-nitro-2-furyl)methyleneamino]amine Formula: C12H8N4O5S MolecularWeight: 320.28072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NN=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O5S/c17-16(18)11-6-5-8(21-11)7-13-14-12-9-3-1-2-4-10(9)22(19,20)15-12/h1-7H,(H,14,15)/b13-7+