methyl 2-methyl-6-nitro-1,1-bis(oxidanylidene)-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-methyl-6-nitro-1,1-bis(oxidanylidene)-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-methyl-6-nitro-1,1-dioxo-benzothiophene-3-carboxylate CAS Name: 2-methyl-6-nitro-1,1-dioxo-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-6-nitro-1,1-dioxo-1-benzothiophene-3-carboxylate Traditional Name: 1,1-diketo-2-methyl-6-nitro-benzothiophene-3-carboxylic acid methyl ester Formula: C11H9NO6S MolecularWeight: 283.25726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C11H9NO6S/c1-6-10(11(13)18-2)8-4-3-7(12(14)15)5-9(8)19(6,16)17/h3-5H,1-2H3