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

Systemtic Name: 5-[(5-methyl-3-nitro-2-oxidanyl-phenyl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-hydroxy-5-methyl-3-nitro-phenyl)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-hydroxy-5-methyl-3-nitrophenyl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-hydroxy-5-methyl-3-nitrophenyl)methyl]furan-2-carboxylic acid Traditional Name: 5-(2-hydroxy-5-methyl-3-nitro-benzyl)-2-furoic acid Formula: C13H11NO6 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])O)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])O)CC2=CC=C(O2)C(=O)O

InChI

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