[(1S)-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [(1S)-2-anilino-2-oxo-1-phenyl-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [(1S)-2-anilino-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-anilino-2-oxo-1-phenylethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [(1S)-2-anilino-2-keto-1-phenyl-ethyl] ester Formula: C21H15ClN2O5 MolecularWeight: 410.8072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)NC2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClN2O5/c22-15-11-12-17(18(13-15)24(27)28)21(26)29-19(14-7-3-1-4-8-14)20(25)23-16-9-5-2-6-10-16/h1-13,19H,(H,23,25)/t19-/m0/s1