6-[(E)-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 6-[(E)-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)vinyl]-2-isopropyl-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)ethenyl]-2-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 6-[(E)-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)vinyl]-2-isopropyl-1H-pyrimidin-4-one Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=O)C=C(N1)C=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC(=O)C=C(N1)/C=C/C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-9(2)16-17-11(8-14(20)18-16)5-4-10-6-12(19(22)23)15(21)13(7-10)24-3/h4-9,21H,1-3H3,(H,17,18,20)/b5-4+