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

Systemtic Name: 3-[4-[2-(4-carbamimidoylphenyl)-3-oxidanylidene-1H-1,2,4-triazol-5-yl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(4-carbamimidoylphenyl)-3-oxo-1H-1,2,4-triazol-5-yl]phenyl]propanoic acid CAS Name: 3-[4-[2-(4-carbamimidoylphenyl)-3-oxo-1H-1,2,4-triazol-5-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-carbamimidoylphenyl)-3-oxo-1H-1,2,4-triazol-5-yl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(4-amidinophenyl)-3-keto-1H-1,2,4-triazol-5-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)C2=NC(=O)N(N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C2=NC(=O)N(N2)C3=CC=C(C=C3)C(=N)N

InChI

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