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

Systemtic Name: 4-(3-azanyl-3-oxidanylidene-propoxy)-3-bromanyl-5-ethoxy-benzoic acid Openeye Name: 4-(3-amino-3-oxo-propoxy)-3-bromo-5-ethoxy-benzoic acid CAS Name: 4-(3-amino-3-oxopropoxy)-3-bromo-5-ethoxybenzoic acid IUPAC Name: 4-(3-amino-3-oxopropoxy)-3-bromo-5-ethoxybenzoic acid Traditional Name: 4-(3-amino-3-keto-propoxy)-3-bromo-5-ethoxy-benzoic acid Formula: C12H14BrNO5 MolecularWeight: 332.14726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO5/c1-2-18-9-6-7(12(16)17)5-8(13)11(9)19-4-3-10(14)15/h5-6H,2-4H2,1H3,(H2,14,15)(H,16,17)