[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C12H15N3O6S MolecularWeight: 329.329

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC=C(S1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC=C(S1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6S/c1-7(2)5-13-12(18)14-9(16)6-21-11(17)8-3-4-10(22-8)15(19)20/h3-4,7H,5-6H2,1-2H3,(H2,13,14,16,18)