methyl 3-nitro-4-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethoxy]benzoate Openeye Name: methyl 4-[2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethoxy]benzoate Traditional Name: 4-[2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-13(23)16(10-14-6-4-3-5-7-14)21-19(24)12-29-18-9-8-15(20(25)28-2)11-17(18)22(26)27/h3-9,11,16H,10,12H2,1-2H3,(H,21,24)/t16-/m0/s1