2-[[(3-chlorophenyl)amino]-pyridin-2-yl-methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one

Systemtic Name: 2-[[(3-chlorophenyl)amino]-pyridin-2-yl-methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 2-[(3-chloroanilino)-(2-pyridyl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 2-[(3-chloroanilino)-(2-pyridinyl)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone IUPAC Name: 2-[(3-chloroanilino)-pyridin-2-ylmethyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-[(3-chloroanilino)-(2-pyridyl)methyl]-3-hydroxy-6-methylol-pyran-4-one Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H15ClN2O4/c19-11-4-3-5-12(8-11)21-16(14-6-1-2-7-20-14)18-17(24)15(23)9-13(10-22)25-18/h1-9,16,21-22,24H,10H2