(E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-ethyl-3-nitro-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-ethyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-ethyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-ethyl-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-ethyl-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-ethyl-3-nitro-phenyl)prop-2-en-1-one Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO5/c1-2-15-6-4-14(12-17(15)21(23)24)5-8-18(22)16-7-9-19-20(13-16)26-11-3-10-25-19/h4-9,12-13H,2-3,10-11H2,1H3/b8-5+