methyl 3-(dicyanomethyldiazenyl)-5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(dicyanomethyldiazenyl)-5-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(dicyanomethylazo)-5-nitro-benzothiophene-2-carboxylate CAS Name: 3-(dicyanomethylazo)-5-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(dicyanomethyldiazenyl)-5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-(dicyanomethylazo)-5-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C13H7N5O4S MolecularWeight: 329.29078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])N=NC(C#N)C#N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])N=NC(C#N)C#N

InChI

InChI=1S/C13H7N5O4S/c1-22-13(19)12-11(17-16-7(5-14)6-15)9-4-8(18(20)21)2-3-10(9)23-12/h2-4,7H,1H3