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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C16H13N3O6 MolecularWeight: 343.29092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6/c17-9-4-10-18(12-5-2-1-3-6-12)14(20)11-24-16(21)13-7-8-15(25-13)19(22)23/h1-3,5-8H,4,10-11H2