[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-nitrobenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-nitrobenzoate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-12(16(20)18-11-13-5-3-2-4-6-13)24-17(21)14-7-9-15(10-8-14)19(22)23/h2-10,12H,11H2,1H3,(H,18,20)/t12-/m1/s1