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

Systemtic Name: 3-[4-[2-(4-carbamimidoylphenyl)-3-oxidanylidene-1H-pyrazol-5-yl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-5-yl]phenyl]propanoic acid CAS Name: 3-[4-[2-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-5-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-5-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-5-keto-3-pyrazolin-3-yl]phenyl]propionic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3/c20-19(21)14-6-8-15(9-7-14)23-17(24)11-16(22-23)13-4-1-12(2-5-13)3-10-18(25)26/h1-2,4-9,11,22H,3,10H2,(H3,20,21)(H,25,26)