5-butyl-4-nitro-pyridine-2-carboxylic acid

Systemtic Name: 5-butyl-4-nitro-pyridine-2-carboxylic acid Openeye Name: 5-butyl-4-nitro-pyridine-2-carboxylic acid CAS Name: 5-butyl-4-nitro-2-pyridinecarboxylic acid IUPAC Name: 5-butyl-4-nitropyridine-2-carboxylic acid Traditional Name: 5-butyl-4-nitro-picolinic acid Formula: C10H12N2O4 MolecularWeight: 224.21328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O4/c1-2-3-4-7-6-11-8(10(13)14)5-9(7)12(15)16/h5-6H,2-4H2,1H3,(H,13,14)