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

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-ethyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-ethyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-ethyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-ethyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-ethyl-3-nitro-phenyl)prop-2-en-1-one Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO5/c1-2-13-5-3-12(9-15(13)19(21)22)4-7-16(20)14-6-8-17-18(10-14)24-11-23-17/h3-10H,2,11H2,1H3/b7-4+