[2-(3-azanyl-3-oxidanylidene-propyl)-4-carbamimidoyl-phenyl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [2-(3-azanyl-3-oxidanylidene-propyl)-4-carbamimidoyl-phenyl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [2-(3-amino-3-oxo-propyl)-4-carbamimidoyl-phenyl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [2-(3-amino-3-oxopropyl)-4-carbamimidoylphenyl] ester IUPAC Name: [2-(3-amino-3-oxopropyl)-4-carbamimidoylphenyl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [4-amidino-2-(3-amino-3-keto-propyl)phenyl] ester Formula: C12H12F3N3O3 MolecularWeight: 303.23719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=N)N)CCC(=O)N)OC(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=N)N)CCC(=O)N)OC(=O)C(F)(F)F

InChI

InChI=1S/C12H12F3N3O3/c13-12(14,15)11(20)21-8-3-1-7(10(17)18)5-6(8)2-4-9(16)19/h1,3,5H,2,4H2,(H2,16,19)(H3,17,18)