4-[2-(1,2,4-triazol-1-yl)ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-[2-(1,2,4-triazol-1-yl)ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-[2-(1,2,4-triazol-1-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-[2-(1,2,4-triazol-1-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-[2-(1,2,4-triazol-1-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O4/c18-12(6-16-8-14-7-15-16)17-5-11(13(19)20)21-10-4-2-1-3-9(10)17/h1-4,7-8,11H,5-6H2,(H,19,20)