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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC=C(N=C1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c1-2-3-6-14-11-19-16(12-18-14)17(21)9-8-13-5-4-7-15(10-13)20(22)23/h4-5,7-12H,2-3,6H2,1H3/b9-8+