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

Systemtic Name: 4-methyl-3-[5-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-furyl]-4-methyl-benzoic acid CAS Name: 3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-furanyl]-4-methylbenzoic acid IUPAC Name: 3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]-4-methylbenzoic acid Traditional Name: 3-[5-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-2-furyl]-4-methyl-benzoic acid Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C18H13N3O7/c1-9-2-3-10(18(24)25)8-12(9)13-6-4-11(28-13)5-7-14-19-16(22)15(21(26)27)17(23)20-14/h2-8H,1H3,(H,24,25)(H2,19,20,22,23)/b7-5+