(1-cyanoindolizin-2-yl)methyl 3-iodanylbenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-iodanylbenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-iodobenzoate CAS Name: 3-iodobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-iodobenzoate Traditional Name: 3-iodobenzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C17H11IN2O2 MolecularWeight: 402.18591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11IN2O2/c18-14-5-3-4-12(8-14)17(21)22-11-13-10-20-7-2-1-6-16(20)15(13)9-19/h1-8,10H,11H2