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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=CC(=C2C)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O)C

InChI

InChI=1S/C20H20N4O4/c1-4-14-5-8-16(9-6-14)23-12(2)11-15(13(23)3)7-10-17-21-19(25)18(24(27)28)20(26)22-17/h5-11H,4H2,1-3H3,(H2,21,22,25,26)/b10-7+