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

Systemtic Name: 4-(3-azanyl-3-oxidanylidene-propoxy)-3-bromanyl-5-methoxy-benzoic acid Openeye Name: 4-(3-amino-3-oxo-propoxy)-3-bromo-5-methoxy-benzoic acid CAS Name: 4-(3-amino-3-oxopropoxy)-3-bromo-5-methoxybenzoic acid IUPAC Name: 4-(3-amino-3-oxopropoxy)-3-bromo-5-methoxybenzoic acid Traditional Name: 4-(3-amino-3-keto-propoxy)-3-bromo-5-methoxy-benzoic acid Formula: C11H12BrNO5 MolecularWeight: 318.12068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Br)OCCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Br)OCCC(=O)N

InChI

InChI=1S/C11H12BrNO5/c1-17-8-5-6(11(15)16)4-7(12)10(8)18-3-2-9(13)14/h4-5H,2-3H2,1H3,(H2,13,14)(H,15,16)