(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O5/c1-12(2)16-11-17(21)13(3)10-18(16)28-19(24)8-9-22-20(25)14-4-6-15(7-5-14)23(26)27/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)