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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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