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

Systemtic Name: 5-chloranyl-2-methoxy-4-[2-(1,2,4-triazol-1-yl)ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-methoxy-4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid Formula: C12H11ClN4O4 MolecularWeight: 310.69314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CN2C=NC=N2

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CN2C=NC=N2

InChI

InChI=1S/C12H11ClN4O4/c1-21-10-3-9(8(13)2-7(10)12(19)20)16-11(18)4-17-6-14-5-15-17/h2-3,5-6H,4H2,1H3,(H,16,18)(H,19,20)