4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-(3,4-dimethoxyphenyl)-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C17H14NO6- MolecularWeight: 328.29616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c1-23-16-8-5-12(10-17(16)24-2)14(19)6-3-11-4-7-15(20)13(9-11)18(21)22/h3-10,20H,1-2H3/p-1/b6-3+