4-[[(2S)-3-methyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]carbamoylamino]benzoate

Systemtic Name: 4-[[(2S)-3-methyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl]carbamoylamino]benzoate Openeye Name: 4-[[(1S)-1-carboxylato-2-methyl-propyl]carbamoylamino]benzoate CAS Name: 4-[[[[(2S)-3-methyl-1-oxido-1-oxobutan-2-yl]amino]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(2S)-3-methyl-1-oxido-1-oxobutan-2-yl]carbamoylamino]benzoate Traditional Name: 4-[[(1S)-1-carboxylato-2-methyl-propyl]carbamoylamino]benzoate Formula: C13H14N2O5-2 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)NC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)NC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-7(2)10(12(18)19)15-13(20)14-9-5-3-8(4-6-9)11(16)17/h3-7,10H,1-2H3,(H,16,17)(H,18,19)(H2,14,15,20)/p-2/t10-/m0/s1