2-[(E)-2-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-(2-methyl-4-pyrrolidin-1-yl-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[(E)-2-(2-methyl-4-pyrrolidin-1-yl-phenyl)vinyl]-5-nitro-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(E)-2-[2-methyl-4-(1-pyrrolidinyl)phenyl]ethenyl]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(E)-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[(E)-2-(2-methyl-4-pyrrolidino-phenyl)vinyl]-5-nitro-1H-pyrimidin-6-one Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C17H18N4O4/c1-11-10-13(20-8-2-3-9-20)6-4-12(11)5-7-14-18-16(22)15(21(24)25)17(23)19-14/h4-7,10H,2-3,8-9H2,1H3,(H2,18,19,22,23)/b7-5+