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

Systemtic Name: 3-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)carbamoylamino]benzoic acid Openeye Name: 3-[(1-carboxy-3-methyl-butyl)carbamoylamino]benzoic acid CAS Name: 3-[[[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]benzoic acid Traditional Name: 3-[(1-carboxy-3-methyl-butyl)carbamoylamino]benzoic acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C14H18N2O5/c1-8(2)6-11(13(19)20)16-14(21)15-10-5-3-4-9(7-10)12(17)18/h3-5,7-8,11H,6H2,1-2H3,(H,17,18)(H,19,20)(H2,15,16,21)