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

Systemtic Name: 2-[(E)-2-[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-3-pyrrolyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C19H17N5O6 MolecularWeight: 411.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O6/c1-10-8-14(23(27)28)5-6-15(10)22-11(2)9-13(12(22)3)4-7-16-20-18(25)17(24(29)30)19(26)21-16/h4-9H,1-3H3,(H2,20,21,25,26)/b7-4+