3-[4-[4-(4-carbamimidoylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-5-oxo-1,2,4-triazol-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-(4-amidinophenyl)-5-keto-1,2,4-triazol-1-yl]phenyl]propionic acid Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)N2C(=O)N(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)N2C(=O)N(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H17N5O3/c19-17(20)13-4-8-14(9-5-13)22-11-21-23(18(22)26)15-6-1-12(2-7-15)3-10-16(24)25/h1-2,4-9,11H,3,10H2,(H3,19,20)(H,24,25)