[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C15H19ClN2O6 MolecularWeight: 358.77416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OC(C(C)C)C(=O)NC(=O)N)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O[C@H](C(C)C)C(=O)NC(=O)N)Cl)O

InChI

InChI=1S/C15H19ClN2O6/c1-4-23-10-6-8(5-9(16)11(10)19)14(21)24-12(7(2)3)13(20)18-15(17)22/h5-7,12,19H,4H2,1-3H3,(H3,17,18,20,22)/t12-/m1/s1