3-[(E)-2-(4-bromophenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one

Systemtic Name: 3-[(E)-2-(4-bromophenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one Openeye Name: 3-[(E)-2-(4-bromophenyl)vinyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one CAS Name: 3-[(E)-2-(4-bromophenyl)ethenyl]-1-(4-nitrophenyl)-8-cyclohepta[c]pyrazolone IUPAC Name: 3-[(E)-2-(4-bromophenyl)ethenyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one Traditional Name: 3-[(E)-2-(4-bromophenyl)vinyl]-1-(4-nitrophenyl)cyclohepta[c]pyrazol-8-one Formula: C22H14BrN3O3 MolecularWeight: 448.26886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)C=C1)N(N=C2C=CC3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=O)C=C1)N(N=C2/C=C/C3=CC=C(C=C3)Br)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14BrN3O3/c23-16-8-5-15(6-9-16)7-14-20-19-3-1-2-4-21(27)22(19)25(24-20)17-10-12-18(13-11-17)26(28)29/h1-14H/b14-7+