5-oxidanylidene-5-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]amino]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]amino]pentanoic acid Openeye Name: 5-oxo-5-[4-(1,2,4-triazol-1-ylmethyl)anilino]pentanoic acid CAS Name: 5-oxo-5-[4-(1,2,4-triazol-1-ylmethyl)anilino]pentanoic acid IUPAC Name: 5-oxo-5-[4-(1,2,4-triazol-1-ylmethyl)anilino]pentanoic acid Traditional Name: 5-keto-5-[4-(1,2,4-triazol-1-ylmethyl)anilino]valeric acid Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)NC(=O)CCCC(=O)O

InChI

InChI=1S/C14H16N4O3/c19-13(2-1-3-14(20)21)17-12-6-4-11(5-7-12)8-18-10-15-9-16-18/h4-7,9-10H,1-3,8H2,(H,17,19)(H,20,21)