(E)-1-[5-(2-methylpropyl)pyrazin-2-yl]-3-(4-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[5-(2-methylpropyl)pyrazin-2-yl]-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(5-isobutylpyrazin-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-[5-(2-methylpropyl)-2-pyrazinyl]-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-[5-(2-methylpropyl)pyrazin-2-yl]-3-(4-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(5-isobutylpyrazin-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC=C(N=C1)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NC=C(N=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3/c1-12(2)9-14-10-19-16(11-18-14)17(21)8-5-13-3-6-15(7-4-13)20(22)23/h3-8,10-12H,9H2,1-2H3/b8-5+