6-[(4-fluorophenyl)methyl]-3-[(4-nitrophenyl)amino]-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[(4-fluorophenyl)methyl]-3-[(4-nitrophenyl)amino]-2H-1,2,4-triazin-5-one Openeye Name: 6-[(4-fluorophenyl)methyl]-3-(4-nitroanilino)-2H-1,2,4-triazin-5-one CAS Name: 6-[(4-fluorophenyl)methyl]-3-(4-nitroanilino)-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(4-fluorophenyl)methyl]-3-(4-nitroanilino)-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-fluorobenzyl)-3-(4-nitroanilino)-2H-1,2,4-triazin-5-one Formula: C16H12FN5O3 MolecularWeight: 341.296583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NNC(=NC2=O)NC3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1CC2=NNC(=NC2=O)NC3=CC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C16H12FN5O3/c17-11-3-1-10(2-4-11)9-14-15(23)19-16(21-20-14)18-12-5-7-13(8-6-12)22(24)25/h1-8H,9H2,(H2,18,19,21,23)