[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-azanyl-3-methyl-benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)O[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C14H19N3O4/c1-7(2)11(12(18)17-14(16)20)21-13(19)9-6-4-5-8(3)10(9)15/h4-7,11H,15H2,1-3H3,(H3,16,17,18,20)/t11-/m1/s1