methyl 3-azanyl-4-nitro-thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-nitro-thiophene-2-carboxylate Openeye Name: methyl 3-amino-4-nitro-thiophene-2-carboxylate CAS Name: 3-amino-4-nitro-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-nitrothiophene-2-carboxylate Traditional Name: 3-amino-4-nitro-thiophene-2-carboxylic acid methyl ester Formula: C6H6N2O4S MolecularWeight: 202.18784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CS1)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C1=C(C(=CS1)[N+](=O)[O-])N

InChI

InChI=1S/C6H6N2O4S/c1-12-6(9)5-4(7)3(2-13-5)8(10)11/h2H,7H2,1H3