5-(3,4-diethylphenyl)-5-(4-nitrophenyl)-4-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 5-(3,4-diethylphenyl)-5-(4-nitrophenyl)-4-oxidanylidene-furan-2-carboxylic acid Openeye Name: 5-(3,4-diethylphenyl)-5-(4-nitrophenyl)-4-oxo-furan-2-carboxylic acid CAS Name: 5-(3,4-diethylphenyl)-5-(4-nitrophenyl)-4-oxo-2-furancarboxylic acid IUPAC Name: 5-(3,4-diethylphenyl)-5-(4-nitrophenyl)-4-oxofuran-2-carboxylic acid Traditional Name: 5-(3,4-diethylphenyl)-4-keto-5-(4-nitrophenyl)-2-furoic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2(C(=O)C=C(O2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C2(C(=O)C=C(O2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])CC

InChI

InChI=1S/C21H19NO6/c1-3-13-5-6-16(11-14(13)4-2)21(19(23)12-18(28-21)20(24)25)15-7-9-17(10-8-15)22(26)27/h5-12H,3-4H2,1-2H3,(H,24,25)