2-diethylaminoethyl 4-azanyl-3,5-bis(bromanyl)benzoate

Systemtic Name: 2-diethylaminoethyl 4-azanyl-3,5-bis(bromanyl)benzoate Openeye Name: 2-diethylaminoethyl 4-amino-3,5-dibromo-benzoate CAS Name: 4-amino-3,5-dibromobenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-amino-3,5-dibromobenzoate Traditional Name: 4-amino-3,5-dibromo-benzoic acid 2-diethylaminoethyl ester Formula: C13H18Br2N2O2 MolecularWeight: 394.10222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC(=C(C(=C1)Br)N)Br

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC(=C(C(=C1)Br)N)Br

InChI

InChI=1S/C13H18Br2N2O2/c1-3-17(4-2)5-6-19-13(18)9-7-10(14)12(16)11(15)8-9/h7-8H,3-6,16H2,1-2H3