2-(5-nitro-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoic acid

Systemtic Name: 2-(5-nitro-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoic acid Openeye Name: 2-(5-nitro-6-oxo-2-phenyl-pyrimidin-1-yl)acetic acid CAS Name: 2-(5-nitro-6-oxo-2-phenyl-1-pyrimidinyl)acetic acid IUPAC Name: 2-(5-nitro-6-oxo-2-phenylpyrimidin-1-yl)acetic acid Traditional Name: 2-(6-keto-5-nitro-2-phenyl-pyrimidin-1-yl)acetic acid Formula: C12H9N3O5 MolecularWeight: 275.21696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C(=O)N2CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C(=O)N2CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O5/c16-10(17)7-14-11(8-4-2-1-3-5-8)13-6-9(12(14)18)15(19)20/h1-6H,7H2,(H,16,17)