(Z)-4-[4-methoxy-7-nitro-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]-3-methyl-but-2-enenitrile

Systemtic Name: (Z)-4-[4-methoxy-7-nitro-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]-3-methyl-but-2-enenitrile Openeye Name: (Z)-4-(4-methoxy-7-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)-3-methyl-but-2-enenitrile CAS Name: (Z)-4-(4-methoxy-7-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)-3-methyl-2-butenenitrile IUPAC Name: (Z)-4-(4-methoxy-7-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)-3-methylbut-2-enenitrile Traditional Name: (Z)-3-methyl-4-(1,1,3-triketo-4-methoxy-7-nitro-1,2-benzothiazol-2-yl)but-2-enenitrile Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC#N)CN1C(=O)C2=C(C=CC(=C2S1(=O)=O)[N+](=O)[O-])OC

Isomeric SMILES

C/C(=C/C#N)/CN1C(=O)C2=C(C=CC(=C2S1(=O)=O)[N+](=O)[O-])OC

InChI

InChI=1S/C13H11N3O6S/c1-8(5-6-14)7-15-13(17)11-10(22-2)4-3-9(16(18)19)12(11)23(15,20)21/h3-5H,7H2,1-2H3/b8-5-