2-[2-[4-(1,2,4-benzotriazin-3-yl)piperazin-1-yl]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[4-(1,2,4-benzotriazin-3-yl)piperazin-1-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[4-(1,2,4-benzotriazin-3-yl)piperazin-1-yl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[4-(1,2,4-benzotriazin-3-yl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[4-(1,2,4-benzotriazin-3-yl)piperazin-1-yl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[4-(1,2,4-benzotriazin-3-yl)piperazino]acetyl]amino]benzoic acid Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2C(=O)O)C3=NC4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2C(=O)O)C3=NC4=CC=CC=C4N=N3

InChI

InChI=1S/C20H20N6O3/c27-18(21-15-6-2-1-5-14(15)19(28)29)13-25-9-11-26(12-10-25)20-22-16-7-3-4-8-17(16)23-24-20/h1-8H,9-13H2,(H,21,27)(H,28,29)