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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-bromanyl-5-methoxy-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H13BrN2O3 MolecularWeight: 385.21142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C18H13BrN2O3/c1-23-13-5-6-16(19)14(8-13)18(22)24-11-12-10-21-7-3-2-4-17(21)15(12)9-20/h2-8,10H,11H2,1H3