(E)-3-nitro-4-pyrimidin-5-yl-but-3-en-2-one

Systemtic Name: (E)-3-nitro-4-pyrimidin-5-yl-but-3-en-2-one Openeye Name: (E)-3-nitro-4-pyrimidin-5-yl-but-3-en-2-one CAS Name: (E)-3-nitro-4-(5-pyrimidinyl)-3-buten-2-one IUPAC Name: (E)-3-nitro-4-pyrimidin-5-ylbut-3-en-2-one Traditional Name: (E)-3-nitro-4-(5-pyrimidyl)but-3-en-2-one Formula: C8H7N3O3 MolecularWeight: 193.15948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CN=CN=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=CN=CN=C1)/[N+](=O)[O-]

InChI

InChI=1S/C8H7N3O3/c1-6(12)8(11(13)14)2-7-3-9-5-10-4-7/h2-5H,1H3/b8-2+