5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanyl-2-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 2-benzyl-4-hydroxy-5-[(2-hydroxy-5-nitro-phenyl)methyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methyl]-2-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 2-benzyl-4-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methyl]-1H-pyrimidin-6-one Traditional Name: 2-benzyl-4-hydroxy-5-(2-hydroxy-5-nitro-benzyl)-1H-pyrimidin-6-one Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=C(C(=O)N2)CC3=C(C=CC(=C3)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=C(C(=O)N2)CC3=C(C=CC(=C3)[N+](=O)[O-])O)O

InChI

InChI=1S/C18H15N3O5/c22-15-7-6-13(21(25)26)9-12(15)10-14-17(23)19-16(20-18(14)24)8-11-4-2-1-3-5-11/h1-7,9,22H,8,10H2,(H2,19,20,23,24)