2-[6-nitro-5-oxidanylidene-6-(thiophen-2-ylmethyl)-1,2-dihydropyrimidin-4-yl]ethanoic acid

Systemtic Name: 2-[6-nitro-5-oxidanylidene-6-(thiophen-2-ylmethyl)-1,2-dihydropyrimidin-4-yl]ethanoic acid Openeye Name: 2-[6-nitro-5-oxo-6-(2-thienylmethyl)-1,2-dihydropyrimidin-4-yl]acetic acid CAS Name: 2-[6-nitro-5-oxo-6-(thiophen-2-ylmethyl)-1,2-dihydropyrimidin-4-yl]acetic acid IUPAC Name: 2-[6-nitro-5-oxo-6-(thiophen-2-ylmethyl)-1,2-dihydropyrimidin-4-yl]acetic acid Traditional Name: 2-[5-keto-6-nitro-6-(2-thenyl)-1,2-dihydropyrimidin-4-yl]acetic acid Formula: C11H11N3O5S MolecularWeight: 297.28714

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(C(=O)C(=N1)CC(=O)O)(CC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

C1NC(C(=O)C(=N1)CC(=O)O)(CC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O5S/c15-9(16)4-8-10(17)11(14(18)19,13-6-12-8)5-7-2-1-3-20-7/h1-3,13H,4-6H2,(H,15,16)