[2-[[2-(2-benzamidoethanoylamino)-5-fluoranyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[2-(2-benzamidoethanoylamino)-5-fluoranyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[2-[(2-benzamidoacetyl)amino]-5-fluoro-anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[2-[(2-benzamido-1-oxoethyl)amino]-5-fluoroanilino]-2-oxoethyl]ammonium IUPAC Name: [2-[2-[(2-benzamidoacetyl)amino]-5-fluoroanilino]-2-oxoethyl]azanium Traditional Name: [2-[5-fluoro-2-(hippuroylamino)anilino]-2-keto-ethyl]ammonium Formula: C17H18FN4O3+ MolecularWeight: 345.348223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(=O)NC2=C(C=C(C=C2)F)NC(=O)C[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)NC2=C(C=C(C=C2)F)NC(=O)C[NH3+]

InChI

InChI=1S/C17H17FN4O3/c18-12-6-7-13(14(8-12)22-15(23)9-19)21-16(24)10-20-17(25)11-4-2-1-3-5-11/h1-8H,9-10,19H2,(H,20,25)(H,21,24)(H,22,23)/p+1