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

Systemtic Name: 2-[(E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O4/c1-10-9-12(11(2)22(10)14-6-4-13(19)5-7-14)3-8-15-20-17(24)16(23(26)27)18(25)21-15/h3-9H,1-2H3,(H2,20,21,24,25)/b8-3+