2-[bis(5-ethylfuran-2-yl)methyl]-5-nitro-benzoic acid

Systemtic Name: 2-[bis(5-ethylfuran-2-yl)methyl]-5-nitro-benzoic acid Openeye Name: 2-[bis(5-ethyl-2-furyl)methyl]-5-nitro-benzoic acid CAS Name: 2-[bis(5-ethyl-2-furanyl)methyl]-5-nitrobenzoic acid IUPAC Name: 2-[bis(5-ethylfuran-2-yl)methyl]-5-nitrobenzoic acid Traditional Name: 2-[bis(5-ethyl-2-furyl)methyl]-5-nitro-benzoic acid Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(O3)CC

Isomeric SMILES

CCC1=CC=C(O1)C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(O3)CC

InChI

InChI=1S/C20H19NO6/c1-3-13-6-9-17(26-13)19(18-10-7-14(4-2)27-18)15-8-5-12(21(24)25)11-16(15)20(22)23/h5-11,19H,3-4H2,1-2H3,(H,22,23)