N-[2,3-bis(oxidanyl)propoxy]-3-[(2-chloranyl-4-ethynyl-phenyl)amino]pyridine-4-carboxamide

Systemtic Name: N-[2,3-bis(oxidanyl)propoxy]-3-[(2-chloranyl-4-ethynyl-phenyl)amino]pyridine-4-carboxamide Openeye Name: 3-(2-chloro-4-ethynyl-anilino)-N-(2,3-dihydroxypropoxy)pyridine-4-carboxamide CAS Name: 3-(2-chloro-4-ethynylanilino)-N-(2,3-dihydroxypropoxy)-4-pyridinecarboxamide IUPAC Name: 3-(2-chloro-4-ethynylanilino)-N-(2,3-dihydroxypropoxy)pyridine-4-carboxamide Traditional Name: 3-(2-chloro-4-ethynyl-anilino)-N-glyceryloxy-isonicotinamide Formula: C17H16ClN3O4 MolecularWeight: 361.77964

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)NC2=C(C=CN=C2)C(=O)NOCC(CO)O)Cl

Isomeric SMILES

C#CC1=CC(=C(C=C1)NC2=C(C=CN=C2)C(=O)NOCC(CO)O)Cl

InChI

InChI=1S/C17H16ClN3O4/c1-2-11-3-4-15(14(18)7-11)20-16-8-19-6-5-13(16)17(24)21-25-10-12(23)9-22/h1,3-8,12,20,22-23H,9-10H2,(H,21,24)