2-[1-(4-nitrophenyl)carbonyl-3-oxidanylidene-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]ethanoic acid

Systemtic Name: 2-[1-(4-nitrophenyl)carbonyl-3-oxidanylidene-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]ethanoic acid Openeye Name: 2-[2-isopropyl-1-(4-nitrobenzoyl)-3-oxo-5-phenyl-2H-pyrazin-4-yl]acetic acid CAS Name: 2-[1-[(4-nitrophenyl)-oxomethyl]-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid IUPAC Name: 2-[1-(4-nitrobenzoyl)-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl]acetic acid Traditional Name: 2-[2-isopropyl-3-keto-1-(4-nitrobenzoyl)-5-phenyl-2H-pyrazin-4-yl]acetic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC(C)C1C(=O)N(C(=CN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C22H21N3O6/c1-14(2)20-22(29)23(13-19(26)27)18(15-6-4-3-5-7-15)12-24(20)21(28)16-8-10-17(11-9-16)25(30)31/h3-12,14,20H,13H2,1-2H3,(H,26,27)