3-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-carboxylic acid

Systemtic Name: 3-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-carboxylic acid Openeye Name: 3-[(3-methyl-4-nitro-phenoxy)methyl]furan-2-carboxylic acid CAS Name: 3-[(3-methyl-4-nitrophenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxylic acid Traditional Name: 3-[(3-methyl-4-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=C(OC=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(OC=C2)C(=O)O)[N+](=O)[O-]

InChI

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