4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(oxidanyl)-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[1-(tert-butoxycarbonylamino)-2,3-dihydroxy-3-oxo-propyl]benzoic acid CAS Name: 4-[2,3-dihydroxy-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]benzoic acid IUPAC Name: 4-[2,3-dihydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]benzoic acid Traditional Name: 4-[1-(tert-butoxycarbonylamino)-2,3-dihydroxy-3-keto-propyl]benzoic acid Formula: C15H19NO7 MolecularWeight: 325.31386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO7/c1-15(2,3)23-14(22)16-10(11(17)13(20)21)8-4-6-9(7-5-8)12(18)19/h4-7,10-11,17H,1-3H3,(H,16,22)(H,18,19)(H,20,21)