(E)-1-(4-chloranyl-3-nitro-phenyl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-chloranyl-3-nitro-phenyl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-chloro-3-nitro-phenyl)-3-(3-isobutoxy-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-chloro-3-nitrophenyl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-chloro-3-nitrophenyl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-chloro-3-nitro-phenyl)-3-(3-isobutoxy-4-methoxy-phenyl)prop-2-en-1-one Formula: C20H20ClNO5 MolecularWeight: 389.8295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20ClNO5/c1-13(2)12-27-20-10-14(5-9-19(20)26-3)4-8-18(23)15-6-7-16(21)17(11-15)22(24)25/h4-11,13H,12H2,1-3H3/b8-4+