4-[(E)-3-(2,5-diethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-3-(2,5-diethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(2,5-diethoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(2,5-diethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(2,5-diethoxyphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(2,5-diethoxyphenyl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H20NO7- MolecularWeight: 386.3753

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)C(=O)C=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)C(=O)/C=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21NO7/c1-4-27-14-7-9-18(28-5-2)15(12-14)17(22)8-6-13-10-16(21(24)25)20(23)19(11-13)26-3/h6-12,23H,4-5H2,1-3H3/p-1/b8-6+