4-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-3-bromanyl-5-ethoxy-benzoic acid

Systemtic Name: 4-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-3-bromanyl-5-ethoxy-benzoic acid Openeye Name: 4-(3-amino-2-methyl-3-oxo-propoxy)-3-bromo-5-ethoxy-benzoic acid CAS Name: 4-(3-amino-2-methyl-3-oxopropoxy)-3-bromo-5-ethoxybenzoic acid IUPAC Name: 4-(3-amino-2-methyl-3-oxopropoxy)-3-bromo-5-ethoxybenzoic acid Traditional Name: 4-(3-amino-3-keto-2-methyl-propoxy)-3-bromo-5-ethoxy-benzoic acid Formula: C13H16BrNO5 MolecularWeight: 346.17384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC(C)C(=O)N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC(C)C(=O)N

InChI

InChI=1S/C13H16BrNO5/c1-3-19-10-5-8(13(17)18)4-9(14)11(10)20-6-7(2)12(15)16/h4-5,7H,3,6H2,1-2H3,(H2,15,16)(H,17,18)