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

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-hydroxy-3-nitro-phenyl)prop-2-en-1-one Formula: C16H11NO6 MolecularWeight: 313.26164

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO6/c18-13(11-3-6-15-16(8-11)23-9-22-15)4-1-10-2-5-14(19)12(7-10)17(20)21/h1-8,19H,9H2/b4-1+