[(2S)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [(2S)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [(2S)-1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(2-naphthylamino)ethyl] ester Formula: C20H15ClN2O5 MolecularWeight: 398.7965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O5/c1-12(28-20(25)17-9-7-15(21)11-18(17)23(26)27)19(24)22-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,22,24)/t12-/m0/s1