5-[(2-methyl-5-nitro-phenoxy)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-methyl-5-nitro-phenoxy)methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-methyl-5-nitro-phenoxy)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-methyl-5-nitrophenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-methyl-5-nitrophenoxy)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-methyl-5-nitro-phenoxy)methyl]-2-furoic acid Formula: C13H11NO6 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H11NO6/c1-8-2-3-9(14(17)18)6-12(8)19-7-10-4-5-11(20-10)13(15)16/h2-6H,7H2,1H3,(H,15,16)