2-[[3-oxidanylidene-3-(propan-2-ylamino)propanoyl]amino]benzoic acid

Systemtic Name: 2-[[3-oxidanylidene-3-(propan-2-ylamino)propanoyl]amino]benzoic acid Openeye Name: 2-[[3-(isopropylamino)-3-oxo-propanoyl]amino]benzoic acid CAS Name: 2-[[1,3-dioxo-3-(propan-2-ylamino)propyl]amino]benzoic acid IUPAC Name: 2-[[3-oxo-3-(propan-2-ylamino)propanoyl]amino]benzoic acid Traditional Name: 2-[[3-(isopropylamino)-3-keto-propanoyl]amino]benzoic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CC(=O)NC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)NC(=O)CC(=O)NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H16N2O4/c1-8(2)14-11(16)7-12(17)15-10-6-4-3-5-9(10)13(18)19/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)