ethyl (1R,3S)-1,2,2-tricyano-3-(5-nitrofuran-2-yl)cyclopropane-1-carboxylate

Systemtic Name: ethyl (1R,3S)-1,2,2-tricyano-3-(5-nitrofuran-2-yl)cyclopropane-1-carboxylate Openeye Name: ethyl (1R,3S)-1,2,2-tricyano-3-(5-nitro-2-furyl)cyclopropanecarboxylate CAS Name: (1R,3S)-1,2,2-tricyano-3-(5-nitro-2-furanyl)-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,3S)-1,2,2-tricyano-3-(5-nitrofuran-2-yl)cyclopropane-1-carboxylate Traditional Name: (1R,3S)-1,2,2-tricyano-3-(5-nitro-2-furyl)cyclopropanecarboxylic acid ethyl ester Formula: C13H8N4O5 MolecularWeight: 300.22642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@]1([C@H](C1(C#N)C#N)C2=CC=C(O2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H8N4O5/c1-2-21-11(18)13(7-16)10(12(13,5-14)6-15)8-3-4-9(22-8)17(19)20/h3-4,10H,2H2,1H3/t10-,13-/m0/s1