methyl 3-azanylcyclohexa-1,5-diene-1-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 3-azanylcyclohexa-1,5-diene-1-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 3-aminocyclohexa-1,5-diene-1-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 3-amino-1-cyclohexa-1,5-dienecarboxylic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 3-aminocyclohexa-1,5-diene-1-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 3-aminocyclohexa-1,5-diene-1-carboxylic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C10H12F3NO4 MolecularWeight: 267.20179

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(CC=C1)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=CC(CC=C1)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C8H11NO2.C2HF3O2/c1-11-8(10)6-3-2-4-7(9)5-6;3-2(4,5)1(6)7/h2-3,5,7H,4,9H2,1H3;(H,6,7)