4-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]oxybenzoate

Systemtic Name: 4-[(2S)-1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]oxybenzoate Openeye Name: 4-[(1S)-1-methyl-2-oxo-2-(prop-2-ynylamino)ethoxy]benzoate CAS Name: 4-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoate IUPAC Name: 4-[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-(propargylamino)ethoxy]benzoate Formula: C13H12NO4- MolecularWeight: 246.23868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)OC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC#C)OC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C13H13NO4/c1-3-8-14-12(15)9(2)18-11-6-4-10(5-7-11)13(16)17/h1,4-7,9H,8H2,2H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1