[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-bromo-4-hydroxy-5-methoxy-benzoate CAS Name: 3-bromo-4-hydroxy-5-methoxybenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-bromo-4-hydroxy-5-methoxybenzoate Traditional Name: 3-bromo-4-hydroxy-5-methoxy-benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C13H14BrNO5 MolecularWeight: 344.15796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2CC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2CC2)Br)O

InChI

InChI=1S/C13H14BrNO5/c1-19-10-5-7(4-9(14)12(10)17)13(18)20-6-11(16)15-8-2-3-8/h4-5,8,17H,2-3,6H2,1H3,(H,15,16)