(E)-2-nitro-1-(2-prop-2-ynoxyphenyl)pent-1-en-3-one

Systemtic Name: (E)-2-nitro-1-(2-prop-2-ynoxyphenyl)pent-1-en-3-one Openeye Name: (E)-2-nitro-1-(2-prop-2-ynoxyphenyl)pent-1-en-3-one CAS Name: (E)-2-nitro-1-(2-prop-2-ynoxyphenyl)-1-penten-3-one IUPAC Name: (E)-2-nitro-1-(2-prop-2-ynoxyphenyl)pent-1-en-3-one Traditional Name: (E)-2-nitro-1-(2-propargyloxyphenyl)pent-1-en-3-one Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=CC1=CC=CC=C1OCC#C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)/C(=C\C1=CC=CC=C1OCC#C)/[N+](=O)[O-]

InChI

InChI=1S/C14H13NO4/c1-3-9-19-14-8-6-5-7-11(14)10-12(15(17)18)13(16)4-2/h1,5-8,10H,4,9H2,2H3/b12-10+