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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)N3C(=O)N(C=N3)CCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N3C(=O)N(C=N3)CCC(=O)O)C(=N)N

InChI

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