(1-cyanoindolizin-2-yl)methyl 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C17H11BrN2O3 MolecularWeight: 371.18484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=C(C=CC(=C3)Br)O)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=C(C=CC(=C3)Br)O)C#N

InChI

InChI=1S/C17H11BrN2O3/c18-12-4-5-16(21)13(7-12)17(22)23-10-11-9-20-6-2-1-3-15(20)14(11)8-19/h1-7,9,21H,10H2