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

Systemtic Name: 3-methyl-4-[5-[(E)-2-(5-nitro-2-oxidanidyl-4-oxidanylidene-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoate Openeye Name: 3-methyl-4-[5-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)vinyl]-2-furyl]benzoate CAS Name: 3-methyl-4-[5-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)ethenyl]-2-furanyl]benzoate IUPAC Name: 3-methyl-4-[5-[(E)-2-(5-nitro-2-oxido-4-oxo-1H-pyrimidin-6-yl)ethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-(4-keto-5-nitro-2-oxido-1H-pyrimidin-6-yl)vinyl]-2-furyl]-3-methyl-benzoate Formula: C18H11N3O7-2 MolecularWeight: 381.29584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O7/c1-9-8-10(17(23)24)2-5-12(9)14-7-4-11(28-14)3-6-13-15(21(26)27)16(22)20-18(25)19-13/h2-8H,1H3,(H,23,24)(H2,19,20,22,25)/p-2/b6-3+