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

Systemtic Name: 4-[6-[1-(cyclopentylcarbonylamino)propyl]-5-oxidanylidene-2H-1,2,4-triazin-3-yl]benzoic acid Openeye Name: 4-[6-[1-(cyclopentanecarbonylamino)propyl]-5-oxo-2H-1,2,4-triazin-3-yl]benzoic acid CAS Name: 4-[6-[1-[[cyclopentyl(oxo)methyl]amino]propyl]-5-oxo-2H-1,2,4-triazin-3-yl]benzoic acid IUPAC Name: 4-[6-[1-(cyclopentanecarbonylamino)propyl]-5-oxo-2H-1,2,4-triazin-3-yl]benzoic acid Traditional Name: 4-[6-[1-(cyclopentanecarbonylamino)propyl]-5-keto-2H-1,2,4-triazin-3-yl]benzoic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NNC(=NC1=O)C2=CC=C(C=C2)C(=O)O)NC(=O)C3CCCC3

Isomeric SMILES

CCC(C1=NNC(=NC1=O)C2=CC=C(C=C2)C(=O)O)NC(=O)C3CCCC3

InChI

InChI=1S/C19H22N4O4/c1-2-14(20-17(24)12-5-3-4-6-12)15-18(25)21-16(23-22-15)11-7-9-13(10-8-11)19(26)27/h7-10,12,14H,2-6H2,1H3,(H,20,24)(H,26,27)(H,21,23,25)