(2R)-4-ethanoyl-N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,4-benzoxazine-2-carboximidate

Systemtic Name: (2R)-4-ethanoyl-N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,4-benzoxazine-2-carboximidate Openeye Name: (2R)-4-acetyl-N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,4-benzoxazine-2-carboximidate CAS Name: (2R)-4-acetyl-N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,4-benzoxazine-2-carboximidate IUPAC Name: (2R)-4-acetyl-N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,4-benzoxazine-2-carboximidate Traditional Name: (2R)-4-acetyl-N-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1,4-benzoxazine-2-carboximidate Formula: C13H12N5O3- MolecularWeight: 286.26608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

CC(=O)N1C[C@@H](OC2=CC=CC=C21)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C13H13N5O3/c1-8(19)18-6-11(12(20)16-13-14-7-15-17-13)21-10-5-3-2-4-9(10)18/h2-5,7,11H,6H2,1H3,(H2,14,15,16,17,20)/p-1/t11-/m1/s1