2-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(1H-1,2,4-triazol-5-yl)ethanimidate

Systemtic Name: 2-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(1H-1,2,4-triazol-5-yl)ethanimidate Openeye Name: 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(1H-1,2,4-triazol-5-yl)ethanimidate CAS Name: 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(1H-1,2,4-triazol-5-yl)ethanimidate IUPAC Name: 2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(1H-1,2,4-triazol-5-yl)ethanimidate Traditional Name: 2-[(2R)-3-keto-2-methyl-1,4-benzoxazin-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetimidate Formula: C13H12N5O3- MolecularWeight: 286.26608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(=NC3=NC=NN3)[O-]

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CC(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C13H13N5O3/c1-8-12(20)18(9-4-2-3-5-10(9)21-8)6-11(19)16-13-14-7-15-17-13/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,19)/p-1/t8-/m1/s1