4-chloranyl-3-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid Formula: C11H9ClN4O3 MolecularWeight: 280.66716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CN2C=NC=N2)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CN2C=NC=N2)Cl

InChI

InChI=1S/C11H9ClN4O3/c12-8-2-1-7(11(18)19)3-9(8)15-10(17)4-16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17)(H,18,19)