[(2R)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [(2R)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methoxy-5-nitro-benzoate Openeye Name: [(1R)-2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [(1R)-2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H14Cl2N2O6 MolecularWeight: 413.20886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14Cl2N2O6/c1-9(16(22)20-14-5-3-10(18)7-13(14)19)27-17(23)12-8-11(21(24)25)4-6-15(12)26-2/h3-9H,1-2H3,(H,20,22)/t9-/m1/s1