4-[(E)-3-(1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-3-(1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(benzofuran-2-yl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(2-benzofuranyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(benzofuran-2-yl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C18H12NO6- MolecularWeight: 338.29098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C18H13NO6/c1-24-17-9-11(8-13(18(17)21)19(22)23)6-7-14(20)16-10-12-4-2-3-5-15(12)25-16/h2-10,21H,1H3/p-1/b7-6+