propan-2-yl 3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[(4-keto-3-methyl-phthalazine-1-carbonyl)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)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C22H22N4O6/c1-13(2)32-19(27)12-17(16-10-6-7-11-18(16)26(30)31)23-21(28)20-14-8-4-5-9-15(14)22(29)25(3)24-20/h4-11,13,17H,12H2,1-3H3,(H,23,28)