ethyl 2-[3-bromanyl-4-(dimethylamino)phenyl]-3-cyano-bicyclo[2.2.1]hept-5-ene-3-carboxylate

Systemtic Name: ethyl 2-[3-bromanyl-4-(dimethylamino)phenyl]-3-cyano-bicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: ethyl 2-[3-bromo-4-(dimethylamino)phenyl]-3-cyano-bicyclo[2.2.1]hept-5-ene-3-carboxylate CAS Name: 2-[3-bromo-4-(dimethylamino)phenyl]-3-cyano-3-bicyclo[2.2.1]hept-5-enecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-bromo-4-(dimethylamino)phenyl]-3-cyanobicyclo[2.2.1]hept-5-ene-3-carboxylate Traditional Name: 2-[3-bromo-4-(dimethylamino)phenyl]-3-cyano-bicyclo[2.2.1]hept-5-ene-3-carboxylic acid ethyl ester Formula: C19H21BrN2O2 MolecularWeight: 389.28624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2CC(C1C3=CC(=C(C=C3)N(C)C)Br)C=C2)C#N

Isomeric SMILES

CCOC(=O)C1(C2CC(C1C3=CC(=C(C=C3)N(C)C)Br)C=C2)C#N

InChI

InChI=1S/C19H21BrN2O2/c1-4-24-18(23)19(11-21)14-7-5-12(9-14)17(19)13-6-8-16(22(2)3)15(20)10-13/h5-8,10,12,14,17H,4,9H2,1-3H3