[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=C(OC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C13H12N4O6/c14-5-1-7-16(8-2-6-15)11(18)9-22-13(19)10-3-4-12(23-10)17(20)21/h3-4H,1-2,7-9H2