3-cyanopropyl 1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: 3-cyanopropyl 1-[(2-chlorophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: 3-cyanopropyl 1-[(2-chlorophenyl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 1-(2-chlorobenzyl)-6-keto-nicotinic acid 3-cyanopropyl ester Formula: C17H15ClN2O3 MolecularWeight: 330.7656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=CC2=O)C(=O)OCCCC#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=CC2=O)C(=O)OCCCC#N)Cl

InChI

InChI=1S/C17H15ClN2O3/c18-15-6-2-1-5-13(15)11-20-12-14(7-8-16(20)21)17(22)23-10-4-3-9-19/h1-2,5-8,12H,3-4,10-11H2