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

Systemtic Name: 2-[(E)-3-(3,4-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]-4-nitro-phenolate Openeye Name: 2-[(E)-3-(3,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]-4-nitro-phenolate CAS Name: 2-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-4-nitrophenolate IUPAC Name: 2-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-4-nitrophenolate Traditional Name: 2-[(E)-3-(3,4-dimethoxyphenyl)-3-keto-prop-1-enyl]-4-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=C(C=CC(=C2)[N+](=O)[O-])[O-])OC

Isomeric SMILES

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

InChI

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