2-tert-butyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: 2-tert-butyl-5-nitro-pyridine-3-carboxylate Openeye Name: 2-tert-butyl-5-nitro-pyridine-3-carboxylate CAS Name: 2-tert-butyl-5-nitro-3-pyridinecarboxylate IUPAC Name: 2-tert-butyl-5-nitropyridine-3-carboxylate Traditional Name: 2-tert-butyl-5-nitro-nicotinate Formula: C10H11N2O4- MolecularWeight: 223.20534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=C(C=C1C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC=C(C=C1C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O4/c1-10(2,3)8-7(9(13)14)4-6(5-11-8)12(15)16/h4-5H,1-3H3,(H,13,14)/p-1