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

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5/c1-4-5-13-11(16)8(2)20-12(17)10-6-9(15(18)19)7-14(10)3/h4,6-8H,1,5H2,2-3H3,(H,13,16)/t8-/m0/s1