methyl 4,6-dinitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4,6-dinitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Openeye Name: methyl 4,6-dinitro-3-pyrrol-1-yl-benzothiophene-2-carboxylate CAS Name: 4,6-dinitro-3-(1-pyrrolyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4,6-dinitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Traditional Name: 4,6-dinitro-3-pyrrol-1-yl-benzothiophene-2-carboxylic acid methyl ester Formula: C14H9N3O6S MolecularWeight: 347.30276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])[N+](=O)[O-])N3C=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])[N+](=O)[O-])N3C=CC=C3

InChI

InChI=1S/C14H9N3O6S/c1-23-14(18)13-12(15-4-2-3-5-15)11-9(17(21)22)6-8(16(19)20)7-10(11)24-13/h2-7H,1H3