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

Systemtic Name: 4-[(E)-3-(4-hydroxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(4-hydroxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(4-hydroxyphenyl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C16H12NO6- MolecularWeight: 314.26958

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6/c1-23-15-9-10(8-13(16(15)20)17(21)22)2-7-14(19)11-3-5-12(18)6-4-11/h2-9,18,20H,1H3/p-1/b7-2+