(E)-4-(2-ethynylphenyl)-3-nitro-but-3-en-2-one

Systemtic Name: (E)-4-(2-ethynylphenyl)-3-nitro-but-3-en-2-one Openeye Name: (E)-4-(2-ethynylphenyl)-3-nitro-but-3-en-2-one CAS Name: (E)-4-(2-ethynylphenyl)-3-nitro-3-buten-2-one IUPAC Name: (E)-4-(2-ethynylphenyl)-3-nitrobut-3-en-2-one Traditional Name: (E)-4-(2-ethynylphenyl)-3-nitro-but-3-en-2-one Formula: C12H9NO3 MolecularWeight: 215.20476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1C#C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1C#C)/[N+](=O)[O-]

InChI

InChI=1S/C12H9NO3/c1-3-10-6-4-5-7-11(10)8-12(9(2)14)13(15)16/h1,4-8H,2H3/b12-8+