5-(2-methylpropyl)-4-nitro-thiophene-2-carboxylate

Systemtic Name: 5-(2-methylpropyl)-4-nitro-thiophene-2-carboxylate Openeye Name: 5-isobutyl-4-nitro-thiophene-2-carboxylate CAS Name: 5-(2-methylpropyl)-4-nitro-2-thiophenecarboxylate IUPAC Name: 5-(2-methylpropyl)-4-nitrothiophene-2-carboxylate Traditional Name: 5-isobutyl-4-nitro-2-thenoate Formula: C9H10NO4S- MolecularWeight: 228.245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=C(S1)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=C(C=C(S1)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H11NO4S/c1-5(2)3-7-6(10(13)14)4-8(15-7)9(11)12/h4-5H,3H2,1-2H3,(H,11,12)/p-1