tert-butyl 3,4-dimethyl-5-(2-nitroethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3,4-dimethyl-5-(2-nitroethyl)-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3,4-dimethyl-5-(2-nitroethyl)-1H-pyrrole-2-carboxylate CAS Name: 3,4-dimethyl-5-(2-nitroethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,4-dimethyl-5-(2-nitroethyl)-1H-pyrrole-2-carboxylate Traditional Name: 3,4-dimethyl-5-(2-nitroethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C(=O)OC(C)(C)C)CC[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C)C(=O)OC(C)(C)C)CC[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O4/c1-8-9(2)11(12(16)19-13(3,4)5)14-10(8)6-7-15(17)18/h14H,6-7H2,1-5H3