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

Systemtic Name: 2-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-nitro-phenolate Openeye Name: 2-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-nitro-phenolate CAS Name: 2-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxoprop-2-enyl]-4-nitrophenolate IUPAC Name: 2-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-4-nitrophenolate Traditional Name: 2-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acryloyl]-4-nitro-phenolate Formula: C17H12NO6- MolecularWeight: 326.28028

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=CC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H13NO6/c19-14(13-10-12(18(21)22)3-5-15(13)20)4-1-11-2-6-16-17(9-11)24-8-7-23-16/h1-6,9-10,20H,7-8H2/p-1/b4-1+