ethyl (1R,2S,3R)-1-cyano-2-(3-nitrophenyl)-3-(phenylcarbonyl)cyclopropane-1-carboxylate

Systemtic Name: ethyl (1R,2S,3R)-1-cyano-2-(3-nitrophenyl)-3-(phenylcarbonyl)cyclopropane-1-carboxylate Openeye Name: ethyl (1R,2R,3S)-2-benzoyl-1-cyano-3-(3-nitrophenyl)cyclopropanecarboxylate CAS Name: (1R,2R,3S)-2-benzoyl-1-cyano-3-(3-nitrophenyl)-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R,3S)-2-benzoyl-1-cyano-3-(3-nitrophenyl)cyclopropane-1-carboxylate Traditional Name: (1R,2R,3S)-2-benzoyl-1-cyano-3-(3-nitrophenyl)cyclopropanecarboxylic acid ethyl ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C1C(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)[C@@]1([C@@H]([C@H]1C(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H16N2O5/c1-2-27-19(24)20(12-21)16(14-9-6-10-15(11-14)22(25)26)17(20)18(23)13-7-4-3-5-8-13/h3-11,16-17H,2H2,1H3/t16-,17+,20-/m1/s1