5-[(3-methyl-2-nitro-phenoxy)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(3-methyl-2-nitro-phenoxy)methyl]furan-2-carboxylic acid Openeye Name: 5-[(3-methyl-2-nitro-phenoxy)methyl]furan-2-carboxylic acid CAS Name: 5-[(3-methyl-2-nitrophenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(3-methyl-2-nitrophenoxy)methyl]furan-2-carboxylic acid Traditional Name: 5-[(3-methyl-2-nitro-phenoxy)methyl]-2-furoic acid Formula: C13H11NO6 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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