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

Systemtic Name: 4-[6-[1-(cyclobutylcarbonylamino)propyl]-5-oxidanylidene-2H-1,2,4-triazin-3-yl]benzoic acid Openeye Name: 4-[6-[1-(cyclobutanecarbonylamino)propyl]-5-oxo-2H-1,2,4-triazin-3-yl]benzoic acid CAS Name: 4-[6-[1-[[cyclobutyl(oxo)methyl]amino]propyl]-5-oxo-2H-1,2,4-triazin-3-yl]benzoic acid IUPAC Name: 4-[6-[1-(cyclobutanecarbonylamino)propyl]-5-oxo-2H-1,2,4-triazin-3-yl]benzoic acid Traditional Name: 4-[6-[1-(cyclobutanecarbonylamino)propyl]-5-keto-2H-1,2,4-triazin-3-yl]benzoic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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)NC(=O)C3CCC3

Isomeric SMILES

CCC(C1=NNC(=NC1=O)C2=CC=C(C=C2)C(=O)O)NC(=O)C3CCC3

InChI

InChI=1S/C18H20N4O4/c1-2-13(19-16(23)11-4-3-5-11)14-17(24)20-15(22-21-14)10-6-8-12(9-7-10)18(25)26/h6-9,11,13H,2-5H2,1H3,(H,19,23)(H,25,26)(H,20,22,24)