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

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-hydroxy-3-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(=O)C=CC3=CC(=C(C=C3)O)[N+](=O)[O-])OC1

Isomeric SMILES

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

InChI

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