[(2S)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[C@@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H22N4O4/c1-15(31-21(29)16-9-11-17(12-10-16)26-14-6-13-24-26)20(28)27-19-8-5-4-7-18(19)25-22(30)23(27,2)3/h4-15H,1-3H3,(H,25,30)/t15-/m0/s1