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

Systemtic Name: 2-[(E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O)C)C

InChI

InChI=1S/C20H20N4O4/c1-11-5-7-16(9-12(11)2)23-13(3)10-15(14(23)4)6-8-17-21-19(25)18(24(27)28)20(26)22-17/h5-10H,1-4H3,(H2,21,22,25,26)/b8-6+