(4-pyrazol-1-ylphenyl)methyl 2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzoxazin-2-yl]acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(O2)CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)[C@H](O2)CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H17N3O4/c24-19(12-18-20(25)22-16-4-1-2-5-17(16)27-18)26-13-14-6-8-15(9-7-14)23-11-3-10-21-23/h1-11,18H,12-13H2,(H,22,25)/t18-/m1/s1