4-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-(2-hydroxyethyl)carbonimidoyl]benzoic acid

Systemtic Name: 4-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-(2-hydroxyethyl)carbonimidoyl]benzoic acid Openeye Name: 4-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-(2-hydroxyethyl)carbonimidoyl]benzoic acid CAS Name: 4-[1-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-3-hydroxypropyl]benzoic acid IUPAC Name: 4-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-(2-hydroxyethyl)carbonimidoyl]benzoic acid Traditional Name: 4-[C-(2-hydroxyethyl)-N-(2-imidazolin-2-ylamino)carbonimidoyl]benzoic acid Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NN=C(CCO)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CN=C(N1)NN=C(CCO)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H16N4O3/c18-8-5-11(16-17-13-14-6-7-15-13)9-1-3-10(4-2-9)12(19)20/h1-4,18H,5-8H2,(H,19,20)(H2,14,15,17)