5-(4-methanoyl-3-methyl-5-nitro-phenoxy)pentanoic acid

Systemtic Name: 5-(4-methanoyl-3-methyl-5-nitro-phenoxy)pentanoic acid Openeye Name: 5-(4-formyl-3-methyl-5-nitro-phenoxy)pentanoic acid CAS Name: 5-(4-formyl-3-methyl-5-nitrophenoxy)pentanoic acid IUPAC Name: 5-(4-formyl-3-methyl-5-nitrophenoxy)pentanoic acid Traditional Name: 5-(4-formyl-3-methyl-5-nitro-phenoxy)valeric acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C=O)[N+](=O)[O-])OCCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C=O)[N+](=O)[O-])OCCCCC(=O)O

InChI

InChI=1S/C13H15NO6/c1-9-6-10(20-5-3-2-4-13(16)17)7-12(14(18)19)11(9)8-15/h6-8H,2-5H2,1H3,(H,16,17)