tert-butyl 4-nitro-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-nitro-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-nitro-1H-pyrrole-2-carboxylate CAS Name: 4-nitro-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-nitro-1H-pyrrole-2-carboxylate Traditional Name: 4-nitro-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C9H12N2O4 MolecularWeight: 212.20258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CN1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CN1)[N+](=O)[O-]

InChI

InChI=1S/C9H12N2O4/c1-9(2,3)15-8(12)7-4-6(5-10-7)11(13)14/h4-5,10H,1-3H3