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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=CC3=C(C=C2)OCO3

InChI

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