[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C17H20BrNO4 MolecularWeight: 382.249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C17H20BrNO4/c18-13-6-7-15(20)14(10-13)17(22)23-11-16(21)19-9-8-12-4-2-1-3-5-12/h4,6-7,10,20H,1-3,5,8-9,11H2,(H,19,21)