1-(4-nitrophenyl)prop-2-en-1-one; penta-1,4-dien-3-one

Systemtic Name: 1-(4-nitrophenyl)prop-2-en-1-one; penta-1,4-dien-3-one Openeye Name: 1-(4-nitrophenyl)prop-2-en-1-one; penta-1,4-dien-3-one CAS Name: 1-(4-nitrophenyl)-2-propen-1-one; 3-penta-1,4-dienone IUPAC Name: 1-(4-nitrophenyl)prop-2-en-1-one; penta-1,4-dien-3-one Traditional Name: 1-(4-nitrophenyl)prop-2-en-1-one; penta-1,4-dien-3-one Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO3.C5H6O/c1-2-9(11)7-3-5-8(6-4-7)10(12)13;1-3-5(6)4-2/h2-6H,1H2;3-4H,1-2H2