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

Systemtic Name: 7-[3-(aminomethyl)pyrrol-1-yl]-3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Openeye Name: 7-[3-(aminomethyl)pyrrol-1-yl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid CAS Name: 7-[3-(aminomethyl)-1-pyrrolyl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[3-(aminomethyl)pyrrol-1-yl]-3-oxo-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Traditional Name: 7-[3-(aminomethyl)pyrrol-1-yl]-3-keto-6-(trifluoromethyl)-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Formula: C15H13F3N4O3 MolecularWeight: 354.28393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1CN)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(N3)C(=O)O

Isomeric SMILES

C1=CN(C=C1CN)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(N3)C(=O)O

InChI

InChI=1S/C15H13F3N4O3/c16-15(17,18)8-3-9-10(20-12(14(24)25)13(23)21-9)4-11(8)22-2-1-7(5-19)6-22/h1-4,6,12,20H,5,19H2,(H,21,23)(H,24,25)