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

Systemtic Name: 2-[(E)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4/c1-11-5-4-6-15(9-11)22-12(2)10-14(13(22)3)7-8-16-20-18(24)17(23(26)27)19(25)21-16/h4-10H,1-3H3,(H2,20,21,24,25)/b8-7+