(4-nitrophenyl) 4-methyl-2-[2-(2-methylprop-2-enoylamino)ethanoylamino]pentanoate

Systemtic Name: (4-nitrophenyl) 4-methyl-2-[2-(2-methylprop-2-enoylamino)ethanoylamino]pentanoate Openeye Name: (4-nitrophenyl) 4-methyl-2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]pentanoate CAS Name: 4-methyl-2-[[2-[(2-methyl-1-oxoprop-2-enyl)amino]-1-oxoethyl]amino]pentanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-methyl-2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]pentanoate Traditional Name: 2-[(2-methacrylamidoacetyl)amino]-4-methyl-valeric acid (4-nitrophenyl) ester Formula: C18H23N3O6 MolecularWeight: 377.39172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CNC(=O)C(=C)C

Isomeric SMILES

CC(C)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CNC(=O)C(=C)C

InChI

InChI=1S/C18H23N3O6/c1-11(2)9-15(20-16(22)10-19-17(23)12(3)4)18(24)27-14-7-5-13(6-8-14)21(25)26/h5-8,11,15H,3,9-10H2,1-2,4H3,(H,19,23)(H,20,22)