methyl 3-azanyl-6-nitro-4-prop-2-ynoxy-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-6-nitro-4-prop-2-ynoxy-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-6-nitro-4-prop-2-ynoxy-benzothiophene-2-carboxylate CAS Name: 3-amino-6-nitro-4-prop-2-ynoxy-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-nitro-4-prop-2-ynoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-6-nitro-4-propargyloxy-benzothiophene-2-carboxylic acid methyl ester Formula: C13H10N2O5S MolecularWeight: 306.2939

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])OCC#C)N

Isomeric SMILES

COC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])OCC#C)N

InChI

InChI=1S/C13H10N2O5S/c1-3-4-20-8-5-7(15(17)18)6-9-10(8)11(14)12(21-9)13(16)19-2/h1,5-6H,4,14H2,2H3