(1-cyanoindolizin-2-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H14ClN3O3 MolecularWeight: 355.77506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=CN3C=CC=CC3=C2C#N)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=CN3C=CC=CC3=C2C#N)Cl)N

InChI

InChI=1S/C18H14ClN3O3/c1-24-17-7-15(21)14(19)6-12(17)18(23)25-10-11-9-22-5-3-2-4-16(22)13(11)8-20/h2-7,9H,10,21H2,1H3