4-chloranyl-3-[3-(1,2,3-triazol-1-yl)propanoylamino]benzoate

Systemtic Name: 4-chloranyl-3-[3-(1,2,3-triazol-1-yl)propanoylamino]benzoate Openeye Name: 4-chloro-3-[3-(triazol-1-yl)propanoylamino]benzoate CAS Name: 4-chloro-3-[[1-oxo-3-(1-triazolyl)propyl]amino]benzoate IUPAC Name: 4-chloro-3-[3-(triazol-1-yl)propanoylamino]benzoate Traditional Name: 4-chloro-3-[3-(triazol-1-yl)propanoylamino]benzoate Formula: C12H10ClN4O3- MolecularWeight: 293.6858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])NC(=O)CCN2C=CN=N2)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])NC(=O)CCN2C=CN=N2)Cl

InChI

InChI=1S/C12H11ClN4O3/c13-9-2-1-8(12(19)20)7-10(9)15-11(18)3-5-17-6-4-14-16-17/h1-2,4,6-7H,3,5H2,(H,15,18)(H,19,20)/p-1