6-(hydroxymethyl)-2-[(4-nitrophenyl)-(pyridin-2-ylamino)methyl]-3-oxidanyl-pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-2-[(4-nitrophenyl)-(pyridin-2-ylamino)methyl]-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-nitrophenyl)-(2-pyridylamino)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-nitrophenyl)-(2-pyridinylamino)methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(4-nitrophenyl)-(pyridin-2-ylamino)methyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(4-nitrophenyl)-(2-pyridylamino)methyl]pyran-4-one Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

C1=CC=NC(=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C18H15N3O6/c22-10-13-9-14(23)17(24)18(27-13)16(20-15-3-1-2-8-19-15)11-4-6-12(7-5-11)21(25)26/h1-9,16,22,24H,10H2,(H,19,20)