(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C17H12BrNO5 MolecularWeight: 390.18488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C/C2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrNO5/c1-10-2-3-12(6-14(10)19(21)22)15(20)5-4-11-7-16-17(8-13(11)18)24-9-23-16/h2-8H,9H2,1H3/b5-4+