4-[6-(1-azanylpropyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]benzoic acid

Systemtic Name: 4-[6-(1-azanylpropyl)-5-oxidanylidene-2H-1,2,4-triazin-3-yl]benzoic acid Openeye Name: 4-[6-(1-aminopropyl)-5-oxo-2H-1,2,4-triazin-3-yl]benzoic acid CAS Name: 4-[6-(1-aminopropyl)-5-oxo-2H-1,2,4-triazin-3-yl]benzoic acid IUPAC Name: 4-[6-(1-aminopropyl)-5-oxo-2H-1,2,4-triazin-3-yl]benzoic acid Traditional Name: 4-[6-(1-aminopropyl)-5-keto-2H-1,2,4-triazin-3-yl]benzoic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NNC(=NC1=O)C2=CC=C(C=C2)C(=O)O)N

Isomeric SMILES

CCC(C1=NNC(=NC1=O)C2=CC=C(C=C2)C(=O)O)N

InChI

InChI=1S/C13H14N4O3/c1-2-9(14)10-12(18)15-11(17-16-10)7-3-5-8(6-4-7)13(19)20/h3-6,9H,2,14H2,1H3,(H,19,20)(H,15,17,18)