5-[2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]carbonylamino]ethyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]carbonylamino]ethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[2-[[(3R)-chromane-3-carbonyl]amino]ethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[2-[[[(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-oxomethyl]amino]ethyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]ethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[2-[[(3R)-chroman-3-carbonyl]amino]ethyl]-1H-1,2,4-triazol-3-olate Formula: C14H15N4O3- MolecularWeight: 287.2939

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=CC=CC=C21)C(=O)NCCC3=NC(=NN3)[O-]

Isomeric SMILES

C1[C@H](COC2=CC=CC=C21)C(=O)NCCC3=NC(=NN3)[O-]

InChI

InChI=1S/C14H16N4O3/c19-13(15-6-5-12-16-14(20)18-17-12)10-7-9-3-1-2-4-11(9)21-8-10/h1-4,10H,5-8H2,(H,15,19)(H2,16,17,18,20)/p-1/t10-/m1/s1