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

Systemtic Name: [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O5/c1-14(15-4-7-17(22)8-5-15)23-20(26)13-30-21(27)16-6-9-18(19(12-16)25(28)29)24-10-2-3-11-24/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,23,26)/t14-/m1/s1