5-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-nitro-phenolate CAS Name: 5-[[[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]-2-nitrophenolate Traditional Name: 5-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-nitro-phenolate Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3Cl

InChI

InChI=1S/C19H20ClN3O4/c20-15-6-2-1-5-14(15)17(22-9-3-4-10-22)12-21-19(25)13-7-8-16(23(26)27)18(24)11-13/h1-2,5-8,11,17,24H,3-4,9-10,12H2,(H,21,25)/t17-/m0/s1