[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-methoxy-5-nitro-benzoate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-12(17(21)19-11-13-6-4-3-5-7-13)26-18(22)15-10-14(20(23)24)8-9-16(15)25-2/h3-10,12H,11H2,1-2H3,(H,19,21)/t12-/m1/s1