2-[(E)-3-(6-bromanyl-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]-4-nitro-phenolate

Systemtic Name: 2-[(E)-3-(6-bromanyl-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]-4-nitro-phenolate Openeye Name: 2-[(E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]-4-nitro-phenolate CAS Name: 2-[(E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]-4-nitrophenolate IUPAC Name: 2-[(E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]-4-nitrophenolate Traditional Name: 2-[(E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)acryloyl]-4-nitro-phenolate Formula: C17H11BrNO6- MolecularWeight: 405.17634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO6/c18-12-5-10(17-11(6-12)8-24-9-25-17)1-3-15(20)14-7-13(19(22)23)2-4-16(14)21/h1-7,21H,8-9H2/p-1/b3-1+