methyl 6-azanyl-2-(chloromethyl)-5-cyano-4-(4-ethylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-2-(chloromethyl)-5-cyano-4-(4-ethylphenyl)-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-ethylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-2-(chloromethyl)-5-cyano-4-(4-ethylphenyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-ethylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-2-(chloromethyl)-5-cyano-4-(4-ethylphenyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CCl)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(OC(=C2C(=O)OC)CCl)N)C#N

InChI

InChI=1S/C17H17ClN2O3/c1-3-10-4-6-11(7-5-10)14-12(9-19)16(20)23-13(8-18)15(14)17(21)22-2/h4-7,14H,3,8,20H2,1-2H3