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

Systemtic Name: 2-[(E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C20H19N4O4- MolecularWeight: 379.38926

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)/p-1/b8-6+