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

Systemtic Name: 4-[(E)-3-(4-cyanophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(4-cyanophenyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(4-cyanophenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(4-cyanophenyl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C17H11N2O5- MolecularWeight: 323.27964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O5/c1-24-16-9-12(8-14(17(16)21)19(22)23)4-7-15(20)13-5-2-11(10-18)3-6-13/h2-9,21H,1H3/p-1/b7-4+