(E)-3-[3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-[3-[(4-bromo-1-pyrazolyl)methyl]-4-methoxyphenyl]-1-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-[(4-bromopyrazol-1-yl)methyl]-4-methoxy-phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Formula: C20H16BrN3O4 MolecularWeight: 442.26274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2[N+](=O)[O-])CN3C=C(C=N3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2[N+](=O)[O-])CN3C=C(C=N3)Br

InChI

InChI=1S/C20H16BrN3O4/c1-28-20-9-7-14(10-15(20)12-23-13-16(21)11-22-23)6-8-19(25)17-4-2-3-5-18(17)24(26)27/h2-11,13H,12H2,1H3/b8-6+