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

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propoxy)-5-bromanyl-benzoic acid Openeye Name: 2-(3-amino-3-oxo-propoxy)-5-bromo-benzoic acid CAS Name: 2-(3-amino-3-oxopropoxy)-5-bromobenzoic acid IUPAC Name: 2-(3-amino-3-oxopropoxy)-5-bromobenzoic acid Traditional Name: 2-(3-amino-3-keto-propoxy)-5-bromo-benzoic acid Formula: C10H10BrNO4 MolecularWeight: 288.0947

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)OCCC(=O)N

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)OCCC(=O)N

InChI

InChI=1S/C10H10BrNO4/c11-6-1-2-8(7(5-6)10(14)15)16-4-3-9(12)13/h1-2,5H,3-4H2,(H2,12,13)(H,14,15)