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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])OC1

Isomeric SMILES

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

InChI

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