[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6/c1-3-4-8(2)13-10(15)7-19-12(16)9-5-6-11(20-9)14(17)18/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)