methyl 6-nitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-nitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-nitro-3-pyrrol-1-yl-benzothiophene-2-carboxylate CAS Name: 6-nitro-3-(1-pyrrolyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-nitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Traditional Name: 6-nitro-3-pyrrol-1-yl-benzothiophene-2-carboxylic acid methyl ester Formula: C14H10N2O4S MolecularWeight: 302.3052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])N3C=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])N3C=CC=C3

InChI

InChI=1S/C14H10N2O4S/c1-20-14(17)13-12(15-6-2-3-7-15)10-5-4-9(16(18)19)8-11(10)21-13/h2-8H,1H3