[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (2-keto-2-mesidino-ethyl) ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)C

InChI

InChI=1S/C22H25N3O5/c1-14-10-15(2)21(16(3)11-14)23-20(26)13-30-22(27)18-12-17(25(28)29)6-7-19(18)24-8-4-5-9-24/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,23,26)