(E)-1-(5-chloranyl-2-oxidanyl-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(5-chloranyl-2-oxidanyl-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Openeye Name: (E)-1-(5-chloro-2-hydroxy-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one CAS Name: (E)-1-(5-chloro-2-hydroxyphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propen-1-one IUPAC Name: (E)-1-(5-chloro-2-hydroxyphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Traditional Name: (E)-1-(5-chloro-2-hydroxy-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one Formula: C17H12ClNO6 MolecularWeight: 361.73328

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)C3=C(C=CC(=C3)Cl)O)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)C3=C(C=CC(=C3)Cl)O)OCO1

InChI

InChI=1S/C17H12ClNO6/c18-12-2-4-16(21)14(7-12)15(20)3-1-10-5-13(19(22)23)6-11-8-24-9-25-17(10)11/h1-7,21H,8-9H2/b3-1+