[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C12H17N3O5 MolecularWeight: 283.28048

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=CN1C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC(=CN1C)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5/c1-4-5-13-11(16)8(2)20-12(17)10-6-9(15(18)19)7-14(10)3/h6-8H,4-5H2,1-3H3,(H,13,16)/t8-/m0/s1