[(2R)-1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [(2R)-1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [(1R)-2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [(1R)-2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C18H16ClFN2O5 MolecularWeight: 394.781443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC(=CC=C1)F)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClFN2O5/c1-11(17(23)21(2)10-12-4-3-5-13(20)8-12)27-18(24)15-7-6-14(22(25)26)9-16(15)19/h3-9,11H,10H2,1-2H3/t11-/m1/s1