[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C14H13N3O5 MolecularWeight: 303.27012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H13N3O5/c1-8-4-11(8)14(19)22-7-13(18)16-12-3-2-10(17(20)21)5-9(12)6-15/h2-3,5,8,11H,4,7H2,1H3,(H,16,18)/t8-,11-/m0/s1