4-chloranyl-2-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]benzoate

Systemtic Name: 4-chloranyl-2-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]benzoate Openeye Name: 4-chloro-2-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]benzoate CAS Name: 4-chloro-2-[[(2R)-1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]benzoate IUPAC Name: 4-chloro-2-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]benzoate Traditional Name: 4-chloro-2-[[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]amino]benzoate Formula: C12H10ClN4O3- MolecularWeight: 293.6858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)[O-])N2C=NC=N2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)C(=O)[O-])N2C=NC=N2

InChI

InChI=1S/C12H11ClN4O3/c1-7(17-6-14-5-15-17)11(18)16-10-4-8(13)2-3-9(10)12(19)20/h2-7H,1H3,(H,16,18)(H,19,20)/p-1/t7-/m1/s1