[1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (2-indolin-1-yl-1-methyl-2-oxo-ethyl) 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (2-indolin-1-yl-2-keto-1-methyl-ethyl) ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-11(16(21)19-8-7-12-5-3-4-6-14(12)19)25-17(22)15-9-13(20(23)24)10-18(15)2/h3-6,9-11H,7-8H2,1-2H3