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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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