tert-butyl 2-(3-ethoxy-2-nitro-3-oxidanylidene-propyl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(3-ethoxy-2-nitro-3-oxidanylidene-propyl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(3-ethoxy-2-nitro-3-oxo-propyl)pyrrole-1-carboxylate CAS Name: 2-(3-ethoxy-2-nitro-3-oxopropyl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-ethoxy-2-nitro-3-oxopropyl)pyrrole-1-carboxylate Traditional Name: 2-(3-ethoxy-3-keto-2-nitro-propyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C14H20N2O6 MolecularWeight: 312.3184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CN1C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC1=CC=CN1C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O6/c1-5-21-12(17)11(16(19)20)9-10-7-6-8-15(10)13(18)22-14(2,3)4/h6-8,11H,5,9H2,1-4H3