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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OCC2=C(C=CO2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1OCC2=C(C=CO2)C(=O)O)[N+](=O)[O-]

InChI

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