ethyl (1S,2R,5R)-6-azanylidene-2-(4-bromophenyl)-1,5-dicyano-4-cyclopropyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,2R,5R)-6-azanylidene-2-(4-bromophenyl)-1,5-dicyano-4-cyclopropyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,2R,5R)-2-(4-bromophenyl)-1,5-dicyano-4-cyclopropyl-6-imino-cyclohex-3-ene-1-carboxylate CAS Name: (1S,2R,5R)-2-(4-bromophenyl)-1,5-dicyano-4-cyclopropyl-6-imino-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R,5R)-2-(4-bromophenyl)-1,5-dicyano-4-cyclopropyl-6-iminocyclohex-3-ene-1-carboxylate Traditional Name: (1S,2R,5R)-2-(4-bromophenyl)-1,5-dicyano-4-cyclopropyl-6-imino-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C20H18BrN3O2 MolecularWeight: 412.27982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C=C(C(C1=N)C#N)C2CC2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CCOC(=O)[C@]1([C@H](C=C([C@H](C1=N)C#N)C2CC2)C3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C20H18BrN3O2/c1-2-26-19(25)20(11-23)17(13-5-7-14(21)8-6-13)9-15(12-3-4-12)16(10-22)18(20)24/h5-9,12,16-17,24H,2-4H2,1H3/t16-,17-,20+/m1/s1