[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C13H19N3O5 MolecularWeight: 297.30706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC(=CN1C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC(=CN1C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5/c1-5-13(2,3)14-11(17)8-21-12(18)10-6-9(16(19)20)7-15(10)4/h6-7H,5,8H2,1-4H3,(H,14,17)