(1-cyanoindolizin-2-yl)methyl 4-cyanobenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-cyanobenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H11N3O2 MolecularWeight: 301.29884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11N3O2/c19-9-13-4-6-14(7-5-13)18(22)23-12-15-11-21-8-2-1-3-17(21)16(15)10-20/h1-8,11H,12H2