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

Systemtic Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C18H16N4O4/c1-11-10-13(12(2)21(11)14-6-4-3-5-7-14)8-9-15-19-17(23)16(22(25)26)18(24)20-15/h3-10H,1-2H3,(H2,19,20,23,24)/b9-8+