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

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[[(1S)-1-phenylbutyl]amino]ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[[(1S)-1-phenylbutyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-3-7-16(14-8-5-4-6-9-14)21-19(23)13-28-18-11-10-15(20(24)27-2)12-17(18)22(25)26/h4-6,8-12,16H,3,7,13H2,1-2H3,(H,21,23)/t16-/m0/s1