methyl 4-nitro-5-propyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-nitro-5-propyl-thiophene-2-carboxylate Openeye Name: methyl 4-nitro-5-propyl-thiophene-2-carboxylate CAS Name: 4-nitro-5-propyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-nitro-5-propylthiophene-2-carboxylate Traditional Name: 4-nitro-5-propyl-thiophene-2-carboxylic acid methyl ester Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C9H11NO4S/c1-3-4-7-6(10(12)13)5-8(15-7)9(11)14-2/h5H,3-4H2,1-2H3