tert-butyl 2-azanyl-5-nitro-pyridin-1-ium-3-carboxylate

Systemtic Name: tert-butyl 2-azanyl-5-nitro-pyridin-1-ium-3-carboxylate Openeye Name: tert-butyl 2-amino-5-nitro-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-5-nitro-3-pyridin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-5-nitropyridin-1-ium-3-carboxylate Traditional Name: 2-amino-5-nitro-pyridin-1-ium-3-carboxylic acid tert-butyl ester Formula: C10H14N3O4+ MolecularWeight: 240.23586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C[NH+]=C1N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C[NH+]=C1N)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O4/c1-10(2,3)17-9(14)7-4-6(13(15)16)5-12-8(7)11/h4-5H,1-3H3,(H2,11,12)/p+1