[(2R)-1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [(2R)-1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(1R)-2-(dibenzylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(2R)-1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(1R)-2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H21ClN2O5 MolecularWeight: 452.88694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H](C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H21ClN2O5/c1-17(32-24(29)21-14-20(27(30)31)12-13-22(21)25)23(28)26(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,17H,15-16H2,1H3/t17-/m1/s1