5-(dimethylaminomethyl)-1-[2-(2-fluorophenyl)carbonyl-4-nitro-phenyl]-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-(dimethylaminomethyl)-1-[2-(2-fluorophenyl)carbonyl-4-nitro-phenyl]-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-(dimethylaminomethyl)-1-[2-(2-fluorobenzoyl)-4-nitro-phenyl]-1,2,4-triazole-3-carboxylic acid CAS Name: 5-(dimethylaminomethyl)-1-[2-[(2-fluorophenyl)-oxomethyl]-4-nitrophenyl]-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-(dimethylaminomethyl)-1-[2-(2-fluorobenzoyl)-4-nitrophenyl]-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-(dimethylaminomethyl)-1-[2-(2-fluorobenzoyl)-4-nitro-phenyl]-1,2,4-triazole-3-carboxylic acid Formula: C19H16FN5O5 MolecularWeight: 413.359243

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=NC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3F)C(=O)O

Isomeric SMILES

CN(C)CC1=NC(=NN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3F)C(=O)O

InChI

InChI=1S/C19H16FN5O5/c1-23(2)10-16-21-18(19(27)28)22-24(16)15-8-7-11(25(29)30)9-13(15)17(26)12-5-3-4-6-14(12)20/h3-9H,10H2,1-2H3,(H,27,28)