(E)-3-[2-(4-nitrophenyl)pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(4-nitrophenyl)pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(4-nitrophenyl)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(4-nitrophenyl)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(4-nitrophenyl)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(4-nitrophenyl)pyrimidin-5-yl]acrylic acid Formula: C13H9N3O4 MolecularWeight: 271.22826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=C(C=N2)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC=C(C=N2)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4/c17-12(18)6-1-9-7-14-13(15-8-9)10-2-4-11(5-3-10)16(19)20/h1-8H,(H,17,18)/b6-1+