(1-cyanoindolizin-2-yl)methyl 2-azanyl-4-chloranyl-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-azanyl-4-chloranyl-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C17H12ClN3O2 MolecularWeight: 325.74908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O2/c18-12-4-5-13(15(20)7-12)17(22)23-10-11-9-21-6-2-1-3-16(21)14(11)8-19/h1-7,9H,10,20H2