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

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-nitro-2-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-hydroxy-5-nitro-phenyl)prop-2-en-1-one Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)OC1

InChI

InChI=1S/C18H15NO6/c20-15(14-11-13(19(22)23)4-6-16(14)21)5-2-12-3-7-17-18(10-12)25-9-1-8-24-17/h2-7,10-11,21H,1,8-9H2/b5-2+