propan-2-yl 3-(2-nitrophenyl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]propanoate

Systemtic Name: propan-2-yl 3-(2-nitrophenyl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]propanoate Openeye Name: isopropyl 3-(2-nitrophenyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate CAS Name: 3-(2-nitrophenyl)-3-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-nitrophenyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate Traditional Name: 3-[[2-(1-ketophthalazin-2-yl)acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C22H22N4O6/c1-14(2)32-21(28)11-18(17-9-5-6-10-19(17)26(30)31)24-20(27)13-25-22(29)16-8-4-3-7-15(16)12-23-25/h3-10,12,14,18H,11,13H2,1-2H3,(H,24,27)