2-(2-butyl-4-methyl-3-nitro-phenyl)butanoic acid

Systemtic Name: 2-(2-butyl-4-methyl-3-nitro-phenyl)butanoic acid Openeye Name: 2-(2-butyl-4-methyl-3-nitro-phenyl)butanoic acid CAS Name: 2-(2-butyl-4-methyl-3-nitrophenyl)butanoic acid IUPAC Name: 2-(2-butyl-4-methyl-3-nitrophenyl)butanoic acid Traditional Name: 2-(2-butyl-4-methyl-3-nitro-phenyl)butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1[N+](=O)[O-])C)C(CC)C(=O)O

Isomeric SMILES

CCCCC1=C(C=CC(=C1[N+](=O)[O-])C)C(CC)C(=O)O

InChI

InChI=1S/C15H21NO4/c1-4-6-7-13-12(11(5-2)15(17)18)9-8-10(3)14(13)16(19)20/h8-9,11H,4-7H2,1-3H3,(H,17,18)