4-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]benzoic acid

Systemtic Name: 4-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]benzoic acid Openeye Name: 4-[(1-carboxy-2-methyl-propyl)carbamoylamino]benzoic acid CAS Name: 4-[[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]benzoic acid Traditional Name: 4-[(1-carboxy-2-methyl-propyl)carbamoylamino]benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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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(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)