[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)N2C=NC=N2

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)N2C=NC=N2

InChI

InChI=1S/C15H17N5O4/c1-9(2)12(13(21)19-15(16)23)24-14(22)10-3-5-11(6-4-10)20-8-17-7-18-20/h3-9,12H,1-2H3,(H3,16,19,21,23)/t12-/m1/s1