ethyl 1-(3-cyanopropyl)-4-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: ethyl 1-(3-cyanopropyl)-4-[(2-fluoranyl-4-iodanyl-phenyl)amino]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: ethyl 1-(3-cyanopropyl)-4-(2-fluoro-4-iodo-anilino)-6-oxo-pyridine-3-carboxylate CAS Name: 1-(3-cyanopropyl)-4-(2-fluoro-4-iodoanilino)-6-oxo-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-cyanopropyl)-4-(2-fluoro-4-iodoanilino)-6-oxopyridine-3-carboxylate Traditional Name: 1-(3-cyanopropyl)-4-(2-fluoro-4-iodo-anilino)-6-keto-nicotinic acid ethyl ester Formula: C18H17FIN3O3 MolecularWeight: 469.248753

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=O)C=C1NC2=C(C=C(C=C2)I)F)CCCC#N

Isomeric SMILES

CCOC(=O)C1=CN(C(=O)C=C1NC2=C(C=C(C=C2)I)F)CCCC#N

InChI

InChI=1S/C18H17FIN3O3/c1-2-26-18(25)13-11-23(8-4-3-7-21)17(24)10-16(13)22-15-6-5-12(20)9-14(15)19/h5-6,9-11,22H,2-4,8H2,1H3