2-butyl-4-nitro-benzoic acid

Systemtic Name: 2-butyl-4-nitro-benzoic acid Openeye Name: 2-butyl-4-nitro-benzoic acid CAS Name: 2-butyl-4-nitrobenzoic acid IUPAC Name: 2-butyl-4-nitrobenzoic acid Traditional Name: 2-butyl-4-nitro-benzoic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-2-3-4-8-7-9(12(15)16)5-6-10(8)11(13)14/h5-7H,2-4H2,1H3,(H,13,14)