(6-carbamimidoylnaphthalen-2-yl) 5-nitrofuran-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 5-nitrofuran-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 5-nitrofuran-2-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 5-nitro-2-furancarboxylic acid (6-carbamimidoyl-2-naphthalenyl) ester; 2,2,2-trifluoroacetic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 5-nitrofuran-2-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 5-nitrofuran-2-carboxylic acid (6-amidino-2-naphthyl) ester; 2,2,2-trifluoroacetic acid Formula: C18H12F3N3O7 MolecularWeight: 439.29899

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)[N+](=O)[O-])C=C1C(=N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(O3)[N+](=O)[O-])C=C1C(=N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H11N3O5.C2HF3O2/c17-15(18)11-2-1-10-8-12(4-3-9(10)7-11)23-16(20)13-5-6-14(24-13)19(21)22;3-2(4,5)1(6)7/h1-8H,(H3,17,18);(H,6,7)