7-[4-(aminomethyl)imidazol-1-yl]-3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-[4-(aminomethyl)imidazol-1-yl]-3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Openeye Name: 7-[4-(aminomethyl)imidazol-1-yl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid CAS Name: 7-[4-(aminomethyl)-1-imidazolyl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[4-(aminomethyl)imidazol-1-yl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Traditional Name: 7-[4-(aminomethyl)imidazol-1-yl]-3-keto-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Formula: C14H12F3N5O3 MolecularWeight: 355.27199

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=C1NC(=O)C(N2)C(=O)O)N3C=C(N=C3)CN)C(F)(F)F

Isomeric SMILES

C1=C(C(=CC2=C1NC(=O)C(N2)C(=O)O)N3C=C(N=C3)CN)C(F)(F)F

InChI

InChI=1S/C14H12F3N5O3/c15-14(16,17)7-1-8-9(20-11(13(24)25)12(23)21-8)2-10(7)22-4-6(3-18)19-5-22/h1-2,4-5,11,20H,3,18H2,(H,21,23)(H,24,25)