[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H17N3O7 MolecularWeight: 327.28998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O7/c1-8(2)5-6-14-13(19)15-10(17)7-22-12(18)9-3-4-11(23-9)16(20)21/h3-4,8H,5-7H2,1-2H3,(H2,14,15,17,19)