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

Systemtic Name: 4-[(E)-3-(3-ethyl-1-benzofuran-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(3-ethylbenzofuran-2-yl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(3-ethyl-2-benzofuranyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(3-ethyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(3-ethylbenzofuran-2-yl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H16NO6- MolecularWeight: 366.34414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=CC=CC=C21)C(=O)C=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=C(OC2=CC=CC=C21)C(=O)/C=C/C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H17NO6/c1-3-13-14-6-4-5-7-17(14)27-20(13)16(22)9-8-12-10-15(21(24)25)19(23)18(11-12)26-2/h4-11,23H,3H2,1-2H3/p-1/b9-8+