(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-nitro-2-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-nitro-2-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-5-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-5-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-5-nitro-phenyl)prop-2-en-1-one Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=CC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H13NO6/c19-14(13-10-12(18(21)22)3-5-15(13)20)4-1-11-2-6-16-17(9-11)24-8-7-23-16/h1-6,9-10,20H,7-8H2/b4-1+