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

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-methyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-methyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-methyl-3-nitro-phenyl)prop-2-en-1-one Formula: C17H13NO5 MolecularWeight: 311.28882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO5/c1-11-2-3-12(8-14(11)18(20)21)4-6-15(19)13-5-7-16-17(9-13)23-10-22-16/h2-9H,10H2,1H3/b6-4+