5-(3-methyl-2-nitro-phenoxy)pentanoic acid

Systemtic Name: 5-(3-methyl-2-nitro-phenoxy)pentanoic acid Openeye Name: 5-(3-methyl-2-nitro-phenoxy)pentanoic acid CAS Name: 5-(3-methyl-2-nitrophenoxy)pentanoic acid IUPAC Name: 5-(3-methyl-2-nitrophenoxy)pentanoic acid Traditional Name: 5-(3-methyl-2-nitro-phenoxy)valeric acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-9-5-4-6-10(12(9)13(16)17)18-8-3-2-7-11(14)15/h4-6H,2-3,7-8H2,1H3,(H,14,15)