2-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-4-nitro-phenolate

Systemtic Name: 2-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-4-nitro-phenolate Openeye Name: 2-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-4-nitro-phenolate CAS Name: 2-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoprop-2-enyl]-4-nitrophenolate IUPAC Name: 2-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-4-nitrophenolate Traditional Name: 2-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acryloyl]-4-nitro-phenolate Formula: C18H14NO6- MolecularWeight: 340.30686

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])OC1

InChI

InChI=1S/C18H15NO6/c20-15(14-11-13(19(22)23)4-6-16(14)21)5-2-12-3-7-17-18(10-12)25-9-1-8-24-17/h2-7,10-11,21H,1,8-9H2/p-1/b5-2+