(E)-1-(5-tert-butylpyrazin-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(5-tert-butylpyrazin-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(5-tert-butylpyrazin-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-(5-tert-butyl-2-pyrazinyl)-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(5-tert-butylpyrazin-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(5-tert-butylpyrazin-2-yl)-3-(3-nitrophenyl)prop-2-en-1-one Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=C(N=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC=C(N=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c1-17(2,3)16-11-18-14(10-19-16)15(21)8-7-12-5-4-6-13(9-12)20(22)23/h4-11H,1-3H3/b8-7+