4-(2-pyrazol-1-ylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(2-pyrazol-1-ylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(2-pyrazol-1-ylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[1-oxo-2-(1-pyrazolyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(2-pyrazol-1-ylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(2-pyrazol-1-ylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)CN3C=CC=N3)C(=O)O

Isomeric SMILES

C1C(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)