2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid

Systemtic Name: 2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoic acid Openeye Name: 2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoic acid CAS Name: 2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid Traditional Name: 2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C15H11N3O5S MolecularWeight: 345.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O5S/c1-8(15(20)21)17-7-16-13-12(14(17)19)11(6-24-13)9-3-2-4-10(5-9)18(22)23/h2-8H,1H3,(H,20,21)