[N-[4-(1H-imidazol-5-yl)phenyl]-N'-prop-2-enyl-carbamimidoyl]phosphonic acid

Systemtic Name: [N-[4-(1H-imidazol-5-yl)phenyl]-N'-prop-2-enyl-carbamimidoyl]phosphonic acid Openeye Name: [N'-allyl-N-[4-(1H-imidazol-5-yl)phenyl]carbamimidoyl]phosphonic acid CAS Name: [[4-(1H-imidazol-5-yl)anilino]-prop-2-enyliminomethyl]phosphonic acid IUPAC Name: [N-[4-(1H-imidazol-5-yl)phenyl]-N'-prop-2-enylcarbamimidoyl]phosphonic acid Traditional Name: [N'-allyl-N-[4-(1H-imidazol-5-yl)phenyl]amidino]phosphonic acid Formula: C13H15N4O3P MolecularWeight: 306.256961

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(NC1=CC=C(C=C1)C2=CN=CN2)P(=O)(O)O

Isomeric SMILES

C=CCN=C(NC1=CC=C(C=C1)C2=CN=CN2)P(=O)(O)O

InChI

InChI=1S/C13H15N4O3P/c1-2-7-15-13(21(18,19)20)17-11-5-3-10(4-6-11)12-8-14-9-16-12/h2-6,8-9H,1,7H2,(H,14,16)(H,15,17)(H2,18,19,20)