(E)-1-(4-methyl-2-oxidanyl-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methyl-2-oxidanyl-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Openeye Name: (E)-1-(2-hydroxy-4-methyl-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one CAS Name: (E)-1-(2-hydroxy-4-methylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propen-1-one IUPAC Name: (E)-1-(2-hydroxy-4-methylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Traditional Name: (E)-1-(2-hydroxy-4-methyl-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-])O

InChI

InChI=1S/C18H15NO6/c1-11-2-4-15(17(21)6-11)16(20)5-3-12-7-14(19(22)23)8-13-9-24-10-25-18(12)13/h2-8,21H,9-10H2,1H3/b5-3+