[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O5/c1-13(19(25)22-16-6-4-5-15(21)12-16)29-20(26)14-7-8-17(18(11-14)24(27)28)23-9-2-3-10-23/h4-8,11-13H,2-3,9-10H2,1H3,(H,22,25)/t13-/m1/s1