5-(5-methyl-2-nitro-phenoxy)pentanoic acid

Systemtic Name: 5-(5-methyl-2-nitro-phenoxy)pentanoic acid Openeye Name: 5-(5-methyl-2-nitro-phenoxy)pentanoic acid CAS Name: 5-(5-methyl-2-nitrophenoxy)pentanoic acid IUPAC Name: 5-(5-methyl-2-nitrophenoxy)pentanoic acid Traditional Name: 5-(5-methyl-2-nitro-phenoxy)valeric acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-9-5-6-10(13(16)17)11(8-9)18-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)