[(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [(1R)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [(1R)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C17H14ClN3O6 MolecularWeight: 391.76256

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O6/c1-19-17(24)20-15(22)14(10-5-3-2-4-6-10)27-16(23)11-7-8-12(18)13(9-11)21(25)26/h2-9,14H,1H3,(H2,19,20,22,24)/t14-/m1/s1