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

Systemtic Name: 3-(4-chlorophenyl)-5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazin-6-one Openeye Name: 3-(4-chlorophenyl)-5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazin-6-one CAS Name: 3-(4-chlorophenyl)-5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazin-6-one IUPAC Name: 3-(4-chlorophenyl)-5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazin-6-one Traditional Name: 3-(4-chlorophenyl)-5-(2-nitrobenzyl)-1H-1,2,4-triazin-6-one Formula: C16H11ClN4O3 MolecularWeight: 342.73654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=NC(=NNC2=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=NC(=NNC2=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O3/c17-12-7-5-10(6-8-12)15-18-13(16(22)20-19-15)9-11-3-1-2-4-14(11)21(23)24/h1-8H,9H2,(H,20,22)