1-[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]-5-(4-nitrophenyl)triazole-4-carboxylic acid CAS Name: 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]-5-(4-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-5-(4-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-[(2S,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]-5-(4-nitrophenyl)triazole-4-carboxylic acid Formula: C19H18N6O8 MolecularWeight: 458.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C(=C(N=N3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C(=C(N=N3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O8/c1-9-7-23(19(30)20-17(9)27)14-6-12(13(8-26)33-14)24-16(15(18(28)29)21-22-24)10-2-4-11(5-3-10)25(31)32/h2-5,7,12-14,26H,6,8H2,1H3,(H,28,29)(H,20,27,30)/t12-,13+,14+/m0/s1