(2R)-4-(2-pyrazol-1-ylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: (2R)-4-(2-pyrazol-1-ylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: (2R)-4-(2-pyrazol-1-ylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-(1-pyrazolyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate IUPAC Name: (2R)-4-(2-pyrazol-1-ylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-(2-pyrazol-1-ylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Formula: C14H12N3O4- MolecularWeight: 286.26278

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)CN3C=CC=N3)C(=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2N1C(=O)CN3C=CC=N3)C(=O)[O-]

InChI

InChI=1S/C14H13N3O4/c18-13(9-16-7-3-6-15-16)17-8-12(14(19)20)21-11-5-2-1-4-10(11)17/h1-7,12H,8-9H2,(H,19,20)/p-1/t12-/m1/s1