ethyl 2-azanyl-6-(4-bromophenyl)-1,3-dicyano-4-cyclopropyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: ethyl 2-azanyl-6-(4-bromophenyl)-1,3-dicyano-4-cyclopropyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: ethyl 2-amino-6-(4-bromophenyl)-1,3-dicyano-4-cyclopropyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 2-amino-6-(4-bromophenyl)-1,3-dicyano-4-cyclopropyl-1-cyclohexa-2,4-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-(4-bromophenyl)-1,3-dicyano-4-cyclopropylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 2-amino-6-(4-bromophenyl)-1,3-dicyano-4-cyclopropyl-cyclohexa-2,4-diene-1-carboxylic acid ethyl ester Formula: C20H18BrN3O2 MolecularWeight: 412.27982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C=C(C(=C1N)C#N)C2CC2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CCOC(=O)C1(C(C=C(C(=C1N)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/h5-9,12,17H,2-4,24H2,1H3