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

Systemtic Name: 3-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate Openeye Name: 3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate CAS Name: 3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate IUPAC Name: 3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(1H-1,2,4-triazol-5-yl)propanimidate Traditional Name: 3-[(2R)-3-keto-2-methyl-1,4-benzoxazin-4-yl]-N-(1H-1,2,4-triazol-5-yl)propionimidate Formula: C14H14N5O3- MolecularWeight: 300.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O3/c1-9-13(21)19(10-4-2-3-5-11(10)22-9)7-6-12(20)17-14-15-8-16-18-14/h2-5,8-9H,6-7H2,1H3,(H2,15,16,17,18,20)/p-1/t9-/m1/s1