[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-propan-2-yloxybenzoate

Systemtic Name: [(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-propan-2-yloxybenzoate Openeye Name: [(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [(1R)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-12(2)28-16-8-5-14(6-9-16)20(24)29-13(3)19(23)21-17-10-7-15(22(25)26)11-18(17)27-4/h5-13H,1-4H3,(H,21,23)/t13-/m1/s1