2-(4-butoxycarbonyl-2,7-dinitro-fluoren-9-ylidene)propanedioic acid

Systemtic Name: 2-(4-butoxycarbonyl-2,7-dinitro-fluoren-9-ylidene)propanedioic acid Openeye Name: 2-(4-butoxycarbonyl-2,7-dinitro-fluoren-9-ylidene)propanedioic acid CAS Name: 2-[4-[butoxy(oxo)methyl]-2,7-dinitro-9-fluorenylidene]propanedioic acid IUPAC Name: 2-(4-butoxycarbonyl-2,7-dinitrofluoren-9-ylidene)propanedioic acid Traditional Name: 2-(4-butoxycarbonyl-2,7-dinitro-fluoren-9-ylidene)malonic acid Formula: C21H16N2O10 MolecularWeight: 456.35914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C(C(=O)O)C(=O)O)C2=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C(C(=O)O)C(=O)O)C2=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O10/c1-2-3-6-33-21(28)15-9-11(23(31)32)8-14-16(15)12-5-4-10(22(29)30)7-13(12)17(14)18(19(24)25)20(26)27/h4-5,7-9H,2-3,6H2,1H3,(H,24,25)(H,26,27)