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

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4,5-dimethoxy-2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-en-1-one Formula: C20H19NO7 MolecularWeight: 385.36736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19NO7/c1-25-18-10-13(15(21(23)24)12-19(18)26-2)4-6-16(22)14-5-7-17-20(11-14)28-9-3-8-27-17/h4-7,10-12H,3,8-9H2,1-2H3/b6-4+