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

Systemtic Name: 4-[2,5-dimethyl-3-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C19H16N4O6 MolecularWeight: 396.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O6/c1-10-9-13(5-8-15-20-17(24)16(23(28)29)18(25)21-15)11(2)22(10)14-6-3-12(4-7-14)19(26)27/h3-9H,1-2H3,(H,26,27)(H2,20,21,24,25)/b8-5+