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

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-5-nitro-benzoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15N3O6 MolecularWeight: 369.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15N3O6/c1-11(17(22)20-15-6-4-3-5-12(15)10-19)27-18(23)14-9-13(21(24)25)7-8-16(14)26-2/h3-9,11H,1-2H3,(H,20,22)/t11-/m1/s1