(E)-1-(4-bromophenyl)-4-imidazol-1-yl-oct-1-en-3-one; nitric acid

Systemtic Name: (E)-1-(4-bromophenyl)-4-imidazol-1-yl-oct-1-en-3-one; nitric acid Openeye Name: (E)-1-(4-bromophenyl)-4-imidazol-1-yl-oct-1-en-3-one; nitric acid CAS Name: (E)-1-(4-bromophenyl)-4-(1-imidazolyl)-1-octen-3-one; nitric acid IUPAC Name: (E)-1-(4-bromophenyl)-4-imidazol-1-yloct-1-en-3-one; nitric acid Traditional Name: (E)-1-(4-bromophenyl)-4-imidazol-1-yl-oct-1-en-3-one; nitric acid Formula: C17H20BrN3O4 MolecularWeight: 410.2624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C=CC1=CC=C(C=C1)Br)N2C=CN=C2.[N+](=O)(O)[O-]

Isomeric SMILES

CCCCC(C(=O)/C=C/C1=CC=C(C=C1)Br)N2C=CN=C2.[N+](=O)(O)[O-]

InChI

InChI=1S/C17H19BrN2O.HNO3/c1-2-3-4-16(20-12-11-19-13-20)17(21)10-7-14-5-8-15(18)9-6-14;2-1(3)4/h5-13,16H,2-4H2,1H3;(H,2,3,4)/b10-7+;