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

Systemtic Name: 6-(hydroxymethyl)-2-[[(3-nitrophenyl)amino]-pyridin-2-yl-methyl]-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(3-nitroanilino)-(2-pyridyl)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(3-nitroanilino)-(2-pyridinyl)methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(3-nitroanilino)-pyridin-2-ylmethyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(3-nitroanilino)-(2-pyridyl)methyl]pyran-4-one Formula: C18H15N3O6 MolecularWeight: 369.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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