[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O5/c1-5-20-11(2)10-14(12(20)3)18(23)26-13(4)17(22)19-15-8-6-7-9-16(15)21(24)25/h6-10,13H,5H2,1-4H3,(H,19,22)/t13-/m1/s1