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

Systemtic Name: (E)-1-(3-methoxy-4-oxidanyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-hydroxy-3-methoxy-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-(4-hydroxy-3-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-hydroxy-3-methoxy-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O

InChI

InChI=1S/C17H13NO7/c1-23-15-7-11(3-5-14(15)20)13(19)4-2-10-6-16-17(25-9-24-16)8-12(10)18(21)22/h2-8,20H,9H2,1H3/b4-2+