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

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-bromanyl-3-nitro-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-bromo-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-bromo-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-bromo-3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(4-bromo-3-nitro-phenyl)prop-2-en-1-one Formula: C16H10BrNO5 MolecularWeight: 376.1583

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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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrNO5/c17-12-4-1-10(7-13(12)18(20)21)2-5-14(19)11-3-6-15-16(8-11)23-9-22-15/h1-8H,9H2/b5-2+