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

Systemtic Name: 2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoic acid Openeye Name: 2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetic acid CAS Name: 2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid IUPAC Name: 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid Traditional Name: 2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid Formula: C14H9N3O5S MolecularWeight: 331.30336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=C2C(=O)N(C=N3)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=C2C(=O)N(C=N3)CC(=O)O

InChI

InChI=1S/C14H9N3O5S/c18-11(19)5-16-7-15-13-12(14(16)20)10(6-23-13)8-2-1-3-9(4-8)17(21)22/h1-4,6-7H,5H2,(H,18,19)