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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(2-methoxy-5-nitro-phenyl)-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-(2-methoxy-5-nitrophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(2-methoxy-5-nitrophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-1,2-benzothiazol-3-yl)-(2-methoxy-5-nitro-phenyl)amine Formula: C14H11N3O5S MolecularWeight: 333.31924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C14H11N3O5S/c1-22-12-7-6-9(17(18)19)8-11(12)15-14-10-4-2-3-5-13(10)23(20,21)16-14/h2-8H,1H3,(H,15,16)