dimethyl 2-azanyl-6-(chloromethyl)-4-(4-cyanophenyl)-4H-pyran-3,5-dicarboxylate

Systemtic Name: dimethyl 2-azanyl-6-(chloromethyl)-4-(4-cyanophenyl)-4H-pyran-3,5-dicarboxylate Openeye Name: dimethyl 2-amino-6-(chloromethyl)-4-(4-cyanophenyl)-4H-pyran-3,5-dicarboxylate CAS Name: 2-amino-6-(chloromethyl)-4-(4-cyanophenyl)-4H-pyran-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-amino-6-(chloromethyl)-4-(4-cyanophenyl)-4H-pyran-3,5-dicarboxylate Traditional Name: 2-amino-6-(chloromethyl)-4-(4-cyanophenyl)-4H-pyran-3,5-dicarboxylic acid dimethyl ester Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C#N)C(=O)OC)N)CCl

Isomeric SMILES

COC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)C#N)C(=O)OC)N)CCl

InChI

InChI=1S/C17H15ClN2O5/c1-23-16(21)13-11(7-18)25-15(20)14(17(22)24-2)12(13)10-5-3-9(8-19)4-6-10/h3-6,12H,7,20H2,1-2H3