(1-cyanoindolizin-2-yl)methyl 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C19H14BrN3O3 MolecularWeight: 412.23676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN3O3/c20-15-6-4-13(5-7-15)19(25)22-10-18(24)26-12-14-11-23-8-2-1-3-17(23)16(14)9-21/h1-8,11H,10,12H2,(H,22,25)