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

Systemtic Name: (E)-1-(4-bromophenyl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-bromophenyl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-bromophenyl)-3-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-bromophenyl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-bromophenyl)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]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=C(C=C2)Br)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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