(1-phenylpyrazol-4-yl)methyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4/c25-20-15-27-19-9-5-4-8-18(19)23(20)11-10-21(26)28-14-16-12-22-24(13-16)17-6-2-1-3-7-17/h1-9,12-13H,10-11,14-15H2