methyl 3-isocyanato-5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-isocyanato-5-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-isocyanato-5-nitro-benzothiophene-2-carboxylate CAS Name: 3-isocyanato-5-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-isocyanato-5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-isocyanato-5-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C11H6N2O5S MolecularWeight: 278.24074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6N2O5S/c1-18-11(15)10-9(12-5-14)7-4-6(13(16)17)2-3-8(7)19-10/h2-4H,1H3