[1-oxidanylidene-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)propan-2-yl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)propan-2-yl] 1-phenylpyrazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [1-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)propan-2-yl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)-1-methyl-ethyl] ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)OC(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)OC(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O5/c1-13(20(26)14-7-8-18-17(9-14)23-19(25)12-28-18)29-21(27)15-10-22-24(11-15)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,23,25)