[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O5/c1-13(7-8-14-5-3-2-4-6-14)21-18(23)12-27-19(24)16-10-9-15(20)11-17(16)22(25)26/h2-6,9-11,13H,7-8,12H2,1H3,(H,21,23)/t13-/m0/s1